Basic information
- CAS
5078-75-1- Standard SMILES
CC1CCC(c2ccccc2)C1- InChIKey
SIXFIJSVWPHSPL-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Names & identifiers
- Preferred name
- (3-Methylcyclopentyl)benzene
- IUPAC
- (3-methylcyclopentyl)benzene
- English name
- (3-Methylcyclopentyl)benzene
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
(3-Methylcyclopentyl)benzene5078-75-1DTXSID00340978RefChem:1050111DTXCID50292059Benzene, (3-methylcyclopentyl)-3-methylcyclopentylbenzene(3-methylcyclopentyl)-benzeneSCHEMBL190852SCHEMBL6747847(3-Methylcyclopentyl)benzene #SIXFIJSVWPHSPL-UHFFFAOYSA-N
Database identifiers
- CAS
5078-75-1- PubChem CID
- 568942
- DTXSID
DTXSID00340978- Nikkaji
- J121.166H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 230 · 230-235 °C
- Density
- 0.95 g/cm3 · 0.950 g/cm3(Temp: 17 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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