Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
Basic information
- CAS
37172-89-7- Standard SMILES
C#CC1(O)CCCCC1C(C)CC- InChIKey
NETONJQRBNZZHO-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
- IUPAC
- 2-butan-2-yl-1-ethynylcyclohexan-1-ol
- English name
- 1-ethynyl-2-(1-methylpropyl)cyclohexan-1-ol
- Molecular formula
- C12H20O
- Molecular weight
- 180.2866
Names & synonyms
37172-89-72-sec-Butyl-1-ethynylcyclohexanolCyclohexanol, 1-ethynyl-2-(1-methylpropyl)-EINECS 253-382-8DTXSID50885667RefChem:580628DTXCID9010250322-(butan-2-yl)-1-ethynylcyclohexan-1-ol1-Ethynyl-2-(1-methylpropyl)cyclohexan-1-olNETONJQRBNZZHO-UHFFFAOYSA-NNS000573691-Ethynyl-2-(1-methylpropyl)cyclohexanol
Database identifiers
- CAS
37172-89-7- PubChem CID
- 169864
- DTXSID
DTXSID50885667- EC Number
- 253-382-8
- Nikkaji
- J260.756E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- EPA Substance Registry System
- 1 · Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- (37172-89-7)
- TSCA
- TSCA listed
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
Regulatory InformationChemical: Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 1-ethynyl-2-(1-methylpropyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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