Basic information
- CAS
402593-46-8- Standard SMILES
CC1(O)CCC(C(C)(O)CO)CC1O- InChIKey
QEFNQQRVZDFDIJ-UHFFFAOYSA-N- Molecular formula
- C10H20O4
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.13615911
Overview
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- 4-(1,2-Dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
- IUPAC
- 4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
- English name
- 4-(1,2-dihydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diol
- Molecular formula
- C10H20O4
- Molecular weight
- 204.26
Names & synonyms
5581-31-74-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diolp-menthane-1,2,8,9-tetrol2APP4GX8DS(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol4-(1,2-Dihydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diolEINECS 226-974-9UNII-2APP4GX8DSSCHEMBL21093916DTXSID50971211CHEBI:169020QEFNQQRVZDFDIJ-UHFFFAOYSA-N
Show more names
p-Menthane-1,2,8,9-tetraol
4-(1,2-DIHYDROXY-1-METHYLETHYL)-1-METHYL-1,2-CYCLOHEXANEDIOLNS000448121,2-CYCLOHEXANEDIOL, 4-(1,2-DIHYDROXY-1-METHYLETHYL)-1-METHYL-
Database identifiers
- CAS
402593-46-8、5581-31-7- PubChem CID
- 110677
- DTXSID
DTXSID50971211- ChEBI
CHEBI:169020- UNII
- 2APP4GX8DS
- EC Number
- 226-974-9
- Nikkaji
- J225.037C
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 361.6 · 361.6±27.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.29(Predicted)
- FDA UNII
- 2 APP4GX8DS · 2APP4GX8DS
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol is a p-menthane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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