Molecular properties
- Formula
- C21H44
- Molar mass
- 296.58 g·mol−1
- Exact mass
- 296.3443 Da
- 0
- PubChem CID
- 527468
Molecule record
4-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
- 4-methyleicosane
- Eicosane, 4-methyl
- SCHEMBL101266
- SCHEMBL101659
- SCHEMBL27038940
- SCHEMBL5984724
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCC(C)CCC
- Isomeric SMILES
- CCCCCCCCCCCCCCCCC(C)CCC
- InChI
- InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h21H,4-20H2,1-3H3
- InChIKey
- XLKVRUORNFWTNM-UHFFFAOYSA-N
- PubChem CID
- 527468
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 4-methylicosane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methylicosane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.