Isopentane

CAS 78-78-4  ·  C5H12  ·  MW 72.15 g/mol

Full record: Isopentane — Safety Data Sheet →

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3D model Isopentane, CAS 78-78-4, molecular formula C5H12, molar mass 72.15 g/mol

Model views

  • Isopentane (CAS 78-78-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Isopentane (CAS 78-78-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Isopentane (CAS 78-78-4) – 2D structure, MolGod Viewer
    2D structure

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Isopentane (CAS 78-78-4), C5H12 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

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Isopentane (CAS 78-78-4), C5H12 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Download 3D model: Isopentane, C5H12, CAS 78-78-4 · NORMAL · 341 KB

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About Isopentane

Isopentane is a chemical compound registered under number CAS 78-78-4, with the molecular formula C5H12, and a molar mass of 72.15 g/mol.

The molecule contains 17 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 2-methylbutane. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.6 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC5H12
Molar mass72.15 g/mol
IUPAC2-methylbutane
SMILESCCC(C)C
InChIKeyQWTDNUCVQCZILF-UHFFFAOYSA-N
logP (XLogP3)2.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 6556 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H224 — Extremely flammable liquid and vapour

H304 — May be fatal if swallowed and enters airways

H336 — May cause drowsiness or dizziness

H411 — Toxic to aquatic life with long lasting effects

EUH066 — Repeated exposure may cause skin dryness or cracking.

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
2-Methylbutane · ISOPENTANE · 78-78-4 · Isoamylhydride · Butane, 2-methyl- · iso-Pentane · 1,1,2-Trimethylethane · Dimethylethylmethane · Ethyldimethylmethane · methylbutane · 1,1-dimethylpropane · iso-C5H12 · (CH3)2CH-CH2-CH3 · ZH67814I0O · NSC-119476
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Isopentane · 78-78-4
InChIKey
QWTDNUCVQCZILF-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Isopentane (CAS 78-78-4)
License & provenance record
Isopentane (CAS 78-78-4) →
MolGod molecule record
Isopentane →
Source data
PubChem CID 6556 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
fddbfa0413add1797f02bb23ee2a73cfde411737b8428ae623999d85f3db40e1
MD5 (STL)
d1df2e4b0607d783431d3b0984f616f3
MolGod Identification Number
MG_690-012-042-38
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
Free printable molecule model
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