Basic information
- CAS
5396-90-7- Standard SMILES
CCC(C)C1CCC(O)CC1C- InChIKey
DHABNXHDJUVRGL-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- 4-(Butan-2-yl)-3-methylcyclohexanol
- IUPAC
- 4-butan-2-yl-3-methylcyclohexan-1-ol
- English name
- 4-butan-2-yl-3-methyl-cyclohexan-1-ol
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
5396-90-74-(butan-2-yl)-3-methylcyclohexanolNSC4392SCHEMBL12166773DTXSID40277830NSC-43924-(Butan-2-yl)-3-methylcyclohexan-1-ol4-butan-2-yl-3-methyl-cyclohexan-1-olCyclohexanol, 3-methyl-4-(1-methylpropyl)-
Database identifiers
- CAS
5396-90-7- PubChem CID
- 220892
- DTXSID
DTXSID40277830
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 231.2 · 231.2±8.0 °C(Predicted)
- Density
- 0.886 · 0.886±0.06 g/cm3(Predicted)
- pka
- 15.33 · 15.33±0.60(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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