Basic information
- CAS
20344-52-9- Standard SMILES
CC(C)(C)C1(O)CCCCC1- InChIKey
FDZSOJOJVCBNNI-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 1-Tert-butylcyclohexan-1-ol
- IUPAC
- 1-tert-butylcyclohexan-1-ol
- English name
- Cyclohexanol,1-(1,1-dimethylethyl)-
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
1-tert-butylcyclohexan-1-ol20344-52-91-(tert-Butyl)cyclohexan-1-olt-butylcyclohexanolCis-t-butyl cyclohexanolNSC1482041-tert-butyl-cyclohexanolSCHEMBL579902SCHEMBL581872SCHEMBL5728500DTXSID90942501MFCD21328198
Show more names
Cyclohexanol,1-(1,1-dimethylethyl)-
AKOS015284362HS-6191NSC-148204
Database identifiers
- CAS
20344-52-9- PubChem CID
- 287917
- DTXSID
DTXSID90942501- Nikkaji
- J2.088.562I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 80 °C · 80 °C(Press: 13 Torr)
- Density
- 0.929 · 0.929±0.06 g/cm3(Predicted)
- pka
- 15.38 · 15.38±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
7 records
Compound notes
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