Isopentane

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

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3D model Isopentane, CAS 78-78-4, molecular formula C5H12, molar mass 72.15 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC5H12
Masa molowa72.15 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 — Skrajnie łatwopalna ciecz i pary

H304 — Połknięcie i dostanie się przez drogi oddechowe może grozić śmiercią

H336 — Może wywoływać uczucie senności lub zawroty głowy

H411 — Działa toksycznie na organizmy wodne, powodując długotrwałe skutki

EUH066 — Powtarzające się narażenie może powodować wysuszanie lub pękanie skóry

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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License & Provenance

MolGod 3D molecular model
Isopentane — CAS 78-78-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Isopentane (CAS 78-78-4) — License & Provenance

Source:
Isopentane (CAS 78-78-4) — MolGod molecule record

Source data: PubChem CID 6556

STL: Download 3D model (341 KB)

SHA-256: 5f4d3c9a11bc4650419a984fda276685b7207c43d2542bc32faf1d13eaeed651

Wikimedia Commons: not published yet

Source data: PubChem CID 6556

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.