Octane

CAS 111-65-9  ·  C8H18  ·  MW 114.23 g/mol

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3D model Octane, CAS 111-65-9, molecular formula C8H18, molar mass 114.23 g/mol
About Octane

Octane is a chemical compound registered under number CAS 111-65-9, with the molecular formula C8H18, and a molar mass of 114.23 g/mol.

The molecule contains 26 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is octane. 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 = 3.9 (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 formulaC8H18
Masa molowa114.23 g/mol
IUPACoctane
SMILESCCCCCCCC
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N
logP (XLogP3)3.9
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 356 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H225 — Wysoce łatwopalna ciecz i pary

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

H336 — Może wywoływać uczucie senności lub zawroty głowy

H315 — Działa drażniąco na skórę

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

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

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

📈 Publication timeline (3 articles)

2011: 1 articles20112015: 1 articles20152019: 1 articles2019

Bar height = number of articles per year. Hover dla szczegółów.

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

Synonyms
octane · n-octane · 111-65-9 · Oktan · Oktanen · Ottani · X1RV0B2FJV · NSC-9822 · DTXCID406882 · CHEBI:17590 · normal-Octane · RefChem:6664 · 203-892-1 · 608-610-4 · Oktanen [Dutch]
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Octane — CAS 111-65-9

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

MolGod License & Provenance Record:
Octane (CAS 111-65-9) — License & Provenance

Source:
Octane (CAS 111-65-9) — MolGod molecule record

Source data: PubChem CID 356

STL: Download 3D model (524 KB)

SHA-256: 51ef71e4b0fc8d6abac7010e81cca01f7fc275f46938208644bcb237f9cd3ad7

Wikimedia Commons: not published yet

Source data: PubChem CID 356

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