Basic information
- CAS
471-16-9- Standard SMILES
C=C1[C@H](O)C[C@]2(C(C)C)C[C@H]12- InChIKey
MDFQXBNVOAKNAY-BBBLOLIVSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
(+)-cis-sabinol is a sabinol. It is an enantiomer of a (-)-cis-sabinol.
Names & identifiers
- Preferred name
- Sabinol
- IUPAC
- (1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
- English name
- thuj-4(10)-en-3-ol
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(+)-cis-SabinolSabinol471-16-940873MPA3A(1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-olCHEBI:15387(1S,3R,5S)-4-METHYLIDENE-1-PROPAN-2-YLBICYCLO[3.1.0]HEXAN-3-OLBicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)-CHEBI:26590(1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol(1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-olRefChem:884300
Show more names
(1S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol(1S,3R,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexan-3-ol(1S,3R,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol207-436-2cis-SabinolThuj-4(10)-en-3-olUNII-40873MPA3AEINECS 207-436-2(1S,3R,5S)-sabinolSCHEMBL1356240
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 207
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 208 °C · 208°C (estimate)
- Density
- 0.9488 · 0.9488
- refractive index
- 1.4871 · 1.4871 (estimate)
- pka
- 14.85 · 14.85±0.40(Predicted)
- LogP
- 2.215 · 2.215 (est)
- FDA UNII
- 40873 MPA3A · 40873MPA3A
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)- (471-16-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: (+)-cis-sabinol is a sabinol. It is an enantiomer of a (-)-cis-sabinol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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