(Cyclopentylmethyl)cyclohexane
Basic information
- CAS
4431-89-4- Standard SMILES
C1CCC(CC2CCCC2)CC1- InChIKey
YIYWTNBPUYHPLR-UHFFFAOYSA-N- Molecular formula
- C12H22
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.1721507
Names & identifiers
- Preferred name
- (Cyclopentylmethyl)cyclohexane
- IUPAC
- cyclopentylmethylcyclohexane
- English name
- (Cyclopentylmethyl)cyclohexane
- Molecular formula
- C12H22
- Molecular weight
- 166.3
Names & synonyms
(CYCLOPENTYLMETHYL)CYCLOHEXANE4431-89-4DTXSID80196132RefChem:1050840DTXCID90118623cyclopentylmethylcyclohexaneCYCLOHEXYLCYCLOPENTYLMETHANEMethane, cyclohexylcyclopentyl-Cyclohexane, (cyclopentylmethyl)-CyclopentylcyclohexylmethaneSCHEMBL1524657SCHEMBL1524658
Show more names
SCHEMBL1524762SCHEMBL2334878(Cyclopentylmethyl)cyclohexane #SCHEMBL27650058YIYWTNBPUYHPLR-UHFFFAOYSA-NAKOS006308248
Database identifiers
- CAS
4431-89-4- PubChem CID
- 20490
- DTXSID
DTXSID80196132- Nikkaji
- J113.385C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 225 · 225-227 °C
- Density
- 0.8789 g/cm3 · 0.8789 g/cm3(Temp: 19 °C)
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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