Basic information
- CAS
18675-34-8- Standard SMILES
C=C(C)[C@@H]1CC[C@H](C)[C@H](O)C1- InChIKey
KRCZYMFUWVJCLI-IVZWLZJFSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
(+)-neoisodihydrocarveol is the (1R,2S,5R)-stereoisomer of dihydrocarveol. It is an enantiomer of a (-)-neoisodihydrocarveol.
Names & identifiers
- Preferred name
- Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-
- IUPAC
- (1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
- English name
- Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-RefChem:580645(+)-neoisodihydrocarveol(1S,2R,4R)-Neoiso-dihydrocarveolNeoisodihydrocarveol51773-45-6Neo-dihydrocarveol(1R,2S,5R)-5-isopropenyl-2-methylcyclohexanolNeoisocarveol, dihydro-Neoisodihydrocarveol, (+)-A3V1C5WF34Dihydroneoisocarveol, (+/-)-
Show more names
NEO-P-MENTH-8-EN-2-OL(1R,2R,4R)-dihydrocarveol
014Z62T71D(1R,2S,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanol18675-34-8Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-(1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-olDihydro carveol <neo,iso>(+/-)-dihydroneoisocarveolUNII-A3V1C5WF34
Database identifiers
- CAS
18675-34-8、51773-45-6- PubChem CID
- 443166
- DTXSID
DTXSID601224883- ChEBI
CHEBI:50232
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physicochemical properties
- Boiling point
- 225 · 225.0±0.0 °C(Predicted)
- Density
- 0.912 · 0.912±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.60(Predicted)
- FDA UNII
- 14 Z62T71D · 014Z62T71D
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Additional notes
DefinitionChEBI: (+)-neoisodihydrocarveol is the (1R,2S,5R)-stereoisomer of dihydrocarveol. It is an enantiomer of a (-)-neoisodihydrocarveol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…