4-(2-Hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
Basic information
- CAS
103665-38-9- Standard SMILES
CC(C)(O)C1CCC(C)(O)C(O)C1- InChIKey
KANCZQSRUGHECB-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Overview
(1R,2R,4S)-p-Menthane-1,2,8-triol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
- IUPAC
- 4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
Names & synonyms
4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol58506-22-2DTXSID30974063HPMCD compoundRefChem:912088DTXCID80140150062014-81-7(1R,2R,4S)-p-Menthane-1,2,8-triol(4alpha)-p-Menthane-1alpha,2beta,8-triolOprea1_854877SCHEMBL29165482CHEBI:171752
Show more names
1,2-Cyclohexanediol, 4-(1-hydroxy-1-methylethyl)-1-methyl-AKOS022184634DB-3439874-(1-hydroxy-1-methylethyl)-1-methyl-1,2-cyclohexanediol
Database identifiers
- CAS
103665-38-9、58506-22-2- PubChem CID
- 186702
- DTXSID
DTXSID30974063- ChEBI
CHEBI:171752- Nikkaji
- J2.283.343J
Properties
Computed structural properties
- XLogP
- 0.2
- 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
- 191
Experimental & physicochemical properties
Melting Point134 - 135 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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