Basic information
- CAS
1612-98-2- Standard SMILES
CC(C)C1CCC(C)(O)CC1O- InChIKey
IIZCEIWXLSJQFP-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
(1S,3R,4R)-p-Menthane-1,3-diol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- p-Menthane-1,3-diol
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexane-1,3-diol
Names & synonyms
p-Menthane-1,3-diol1-methyl-4-propan-2-ylcyclohexane-1,3-diol1612-98-2(1S,3R,4R)-p-Menthane-1,3-diol1-methyl-4-(propan-2-yl)cyclohexane-1,3-diolMenthololSCHEMBL1870838DTXSID20335240CHEBI:179554IIZCEIWXLSJQFP-UHFFFAOYSA-N4-Isopropyl-1-methyl-1,3-cyclohexanediol4-Isopropyl-1-methyl-1,3-cyclohexanediol #
Show more names
1,3-Cyclohexanediol, 1-methyl-4-(1-methylethyl)
Database identifiers
- CAS
1612-98-2、58342-65-7- PubChem CID
- 524005
- DTXSID
DTXSID20335240- ChEBI
CHEBI:179554- Nikkaji
- J526.407C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Melting Point165 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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