Molecular properties
- Formula
- C14H22
- Molar mass
- 190.33 g·mol−1
- Exact mass
- 190.1721 Da
- 4
- PubChem CID
- 276115
Molecule record
octan-2-ylbenzene
C14H22
190.33 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (1-Methylheptyl)benzene
- (1-Methylheptyl)benzene #
- (methylheptyl)benzene
- 2-Phenyloctane
- 777-22-0
- AKOS006294820
- Benzene, (1-methylheptyl)-
- DTXCID601750658
Show all 24 synonyms
- DTXSID901321244
- FM157446
- NSC-123361
- NSC123361
- Octane, 2-phenyl-
- RefChem:1093792
- SBB060400
- SCHEMBL10972838
- SCHEMBL20853879
- SCHEMBL3080030
- SCHEMBL3391511
- SCHEMBL5265204
- SCHEMBL7568454
- SCHEMBL815938
- SCHEMBL982032
- ST51046587
Structure identifiers
- Canonical SMILES
- CCCCCCC(C)c1ccccc1
- Isomeric SMILES
- CCCCCCC(C)C1=CC=CC=C1
- InChI
- InChI=1S/C14H22/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- InChIKey
- GTYIGAUPHJCMLF-UHFFFAOYSA-N
- PubChem CID
- 276115
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 octan-2-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for octan-2-ylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.