Basic information
- CAS
61065-79-0- Standard SMILES
CCC(O)C1CCC(C(C)(C)C)CC1- InChIKey
MOIDOWNIRCVQFD-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- cis-4-(1,1-Dimethylethyl)-alpha-ethylcyclohexanemethanol
- IUPAC
- 1-(4-tert-butylcyclohexyl)propan-1-ol
- English name
- cis-4-(1,1-dimethylethyl)-alpha-ethylcyclohexanemethanol
- Molecular formula
- C13H26O
- Molecular weight
- 198.35
Names & synonyms
61065-79-0EINECS 262-580-3cis-4-(1,1-Dimethylethyl)-alpha-ethylcyclohexanemethanolrel-1-((1R,4r)-4-(tert-butyl)cyclohexyl)propan-1-olrel-1-((1S,4s)-4-(tert-butyl)cyclohexyl)propan-1-ol61065-80-31-(4-tert-butylcyclohexyl)propan-1-olSCHEMBL11458819SCHEMBL11458820DTXSID10976560MOIDOWNIRCVQFD-FQVSMOOPSA-NMOIDOWNIRCVQFD-UHFFFAOYSA-N
Show more names
cis-1-(4-(tert-Butyl)cyclohexyl)propan-1-olcis-4-(1,1-Dimethylethyl)-α-ethylcyclohexanemethanol4α-(1,1-Dimethylethyl)-α-ethyl-1α-cyclohexanemethanolCyclohexanemethanol, 4-(1,1-dimethylethyl)-α-ethyl-, cis-
AKOS0147359551-(1-Hydroxypropyl)-4-t-butylcyclohexaneDB-307754NS00055532trans-1-(1-hydroxypropyl)-4-t-butylcyclohexane
Database identifiers
- CAS
61065-79-0- PubChem CID
- 11970532
- DTXSID
DTXSID10976560
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 259.261 · 259.261±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.892 · 0.892±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.117 · 15.117±0.20(predicted)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
Loading…