3-(2-Methylpropyl)cyclohex-1-ene
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Basic information
- CAS
4104-56-7- Standard SMILES
CC(C)CC1C=CCCC1- InChIKey
NVLNRIBMCIJLQD-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Overview
3-(2-methylpropyl)cyclohexene is a member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- 3-(2-Methylpropyl)cyclohex-1-ene
- IUPAC
- 3-(2-methylpropyl)cyclohexene
- English name
- 3-(2-Methylpropyl)-1-cyclohexene
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
3-(2-Methylpropyl)cyclohex-1-eneDTXSID00961400RefChem:1066612DTXCID501389228Cyclohexene, 3-isobutyl-Cyclohexene, 3-(2-methylpropyl)-4104-56-73-(2-Methylpropyl)-cyclohexene3-(2-Methylpropyl)-1-cyclohexene3-Isobutylcyclohexene-13-Isobutyl-1-cyclohexene3-isobutylcyclohex-1-ene
Show more names
3-(2-METHYLPROPYL)CYCLOHEXENESCHEMBL1524642SCHEMBL1524643SCHEMBL7992643CHEBI:885543-(2-methyl-propyl)-cyclohexeneNVLNRIBMCIJLQD-UHFFFAOYSA-NQ27160445
Database identifiers
- CAS
4104-56-7- PubChem CID
- 20057
- DTXSID
DTXSID00961400- ChEBI
CHEBI:88554- Nikkaji
- J113.210E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 53 °C · 53 °C(Press: 10 Torr)
- Density
- 0.809 · 0.809±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-(2-methylpropyl)cyclohexene is a member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3. It has a role as a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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