Molecular properties
- Formula
- C14H22
- Molar mass
- 190.33 g·mol−1
- Exact mass
- 190.1721 Da
- 4
- PubChem CID
- 519547
Molecule record
octan-3-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-Ethylhexyl)benzene #
- 1-Ethylhexylbenzene
- 18335-15-4
- 3-Phenyloctane
- 3-phenyl octane
- Benzene, (1-ethylhexyl)-
- Octane, 3-phenyl-
- SCHEMBL6685367
Show all 12 synonyms
- SCHEMBL815246
- SCHEMBL815888
- SCHEMBL8824341
- SCHEMBL9869713
Structure identifiers
- Canonical SMILES
- CCCCCC(CC)c1ccccc1
- Isomeric SMILES
- CCCCCC(CC)C1=CC=CC=C1
- InChI
- InChI=1S/C14H22/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- InChIKey
- XEYWPMIXBVMRLE-UHFFFAOYSA-N
- PubChem CID
- 519547
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-3-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for octan-3-ylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.