Basic information
- Standard SMILES
CC(C)C1(O)CCC(C)(O)C(O)C1- InChIKey
RKROZYQLIWCOBD-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Overview
(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triol has been reported in Boswellia sacra, Garcinia dulcis, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,2,4-Trihydroxymenthane
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol
Names & synonyms
1,2,4-trihydroxymenthaneRefChem:906650p-menthane-1,2,4-triol1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol1,2,4-TrihydroxymenthanCompound NP-024795(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triolMenthane, 1,2,4-trihydroxyorb3170548SCHEMBL12501535DTXSID901357988LBA15004
Show more names
AKOS040736980T127866
Database identifiers
- PubChem CID
- 528375
- DTXSID
DTXSID901357988- Nikkaji
- J1.305.530K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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