Molecular properties
- Formula
- C21H44
- Molar mass
- 296.58 g·mol−1
- Exact mass
- 296.3443 Da
- 0
- PubChem CID
- 98417
Molecule record
3-methylicosane
C21H44
296.58 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-Methyleicosane
- 3-Methylicosane #
- 6418-46-8
- DTXCID501022117
- DTXSID30880756
- Eicosane, 3-methyl-
- Eicosane, 3-methyl-(8CI)
- Eicosane, 3-methyl-(8CI)(9CI)
Show all 19 synonyms
- GZCXIMGMPAZPPM-UHFFFAOYSA-N
- NS00096080
- NSC 125394
- NSC125394
- RefChem:94883
- SCHEMBL102578
- SCHEMBL103753
- SCHEMBL10584212
- SCHEMBL17219813
- SCHEMBL4543213
- SCHEMBL5985586
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCCC(C)CC
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCC(C)CC
- InChI
- InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3
- InChIKey
- GZCXIMGMPAZPPM-UHFFFAOYSA-N
- PubChem CID
- 98417
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-methylicosane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methylicosane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.