Molecular properties
- Formula
- C11H16
- Molar mass
- 148.25 g·mol−1
- Exact mass
- 148.1252 Da
- 4
- PubChem CID
- 17627
Molecule record
pentan-2-ylbenzene
C11H16
148.25 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-Methybutyl)benzene
- (1-Methylbutyl)benzene #
- (methylbutyl)benzene
- 1-Methyl-1-Phenylbutane
- 1-Methyl-n-butylbenzene
- 1-Phenyl-1-methylbutane
- 1-methylbutylbenzene
- 2-PHENYLPENTANE
Show all 24 synonyms
- 220-324-8
- 249-553-1
- 2719-52-0
- 29316-05-0
- Benzene, (1-methylbutyl)-
- Benzene, sec-pentyl-
- DTXCID20818669
- DTXSID10870993
- EINECS 220-324-8
- EINECS 249-553-1
- LTHAIAJHDPJXLG-UHFFFAOYSA-N
- MFCD00027145
- RefChem:89096
- SCHEMBL95181
- sec-Amylbenzene
- sec-Pentylbenzene
Structure identifiers
- Canonical SMILES
- CCCC(C)c1ccccc1
- Isomeric SMILES
- CCCC(C)C1=CC=CC=C1
- InChI
- InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
- InChIKey
- LTHAIAJHDPJXLG-UHFFFAOYSA-N
- PubChem CID
- 17627
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 pentan-2-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for pentan-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.