Basic information
- CAS
54934-94-0- Standard SMILES
CCC1CCC(CC2CCCCC2)CC1- InChIKey
NKFHIHVCTLOXCA-UHFFFAOYSA-N- Molecular formula
- C15H28
- Average molar mass
- 208.38 g/mol
- Monoisotopic mass
- 208.21910089
Names & identifiers
- Preferred name
- Cyclohexane, 1-(cyclohexylmethyl)-4-ethyl-, cis-
- IUPAC
- 1-(cyclohexylmethyl)-4-ethylcyclohexane
- English name
- 1α-(Cyclohexylmethyl)-4β-ethylcyclohexane
- Molecular formula
- C15H28
- Molecular weight
- 208.38
Names & synonyms
Cyclohexane, 1-(cyclohexylmethyl)-4-ethyl-, cis-54934-95-1RefChem:5804341-(Cyclohexylmethyl)-4-ethylcyclohexaneCyclohexane, 1-(cyclohexylmethyl)-4-ethyl-, trans-54934-94-0SCHEMBL12622389DTXSID80970272NKFHIHVCTLOXCA-CTYIDZIISA-NNKFHIHVCTLOXCA-OTVXOJSOSA-Ncis-1-ethyl-4-cyclohexylmethyl-cyclohexane1-(Cyclohexylmethyl)-4-ethylcyclohexane, (E)-
Show more names
1-(Cyclohexylmethyl)-4-ethylcyclohexane, (Z)-
Database identifiers
- CAS
54934-94-0、54934-95-1- PubChem CID
- 143232
- DTXSID
DTXSID80970272- Nikkaji
- J188.114K、J188.115I
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Boiling point
- 283.236 · 283.236±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.854 · 0.854±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Cyclohexane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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