Basic information
- CAS
16223-63-5- Standard SMILES
C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C- InChIKey
OOYRHNIVDZZGQV-BHPKHCPMSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- Khusimol
- IUPAC
- [(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol
- English name
- khusimol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
Khusimol16223-63-5T4N33ECG0WDTXSID809366711H-3a,6-Methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S-(3alpha,3aalpha,6alpha,8aalpha))-[(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol((1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo(6.2.1.01,5)undecanyl)methanolRefChem:151207DTXCID401365271KhusenolTricyclovetivenolCHEMBL511334
Show more names
Khusimol (7CI)(3S,8aα)-Decahydro-7,7-dimethyl-8-methylene-3aα,6α-methanoazulene-3-methanol
1H-3A,6-METHANOAZULENE-3-METHANOL, OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-, (3S,3AR,6R,8AS)-UNII-T4N33ECG0W[(3s,3ar,6r,8as)-7,7-dimethyl-8-methylideneoctahydro-1h-3a,6-methanoazulen-3-yl]methanolorb1987072SCHEMBL16982577BDBM50292418AKOS040746956CS-0063739
Database identifiers
- CAS
16223-63-5- PubChem CID
- 167519
- DTXSID
DTXSID80936671- ChEMBL
CHEMBL511334- UNII
- T4N33ECG0W
- Nikkaji
- J13.966A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Kovats Retention Index
1655；1623；1626
1747
Physicochemical properties
- Boiling point
- 140 · 140-145 °C(Press: 0.07 Torr)
- Density
- 1.0105 g/cm3 · 1.0105 g/cm3
- pka
- 15 · 15.00±0.10(Predicted)
- LogP
- 4.309 · 4.309 (est)
- FDA UNII
- 4 N33ECG0W · T4N33ECG0W
Chemistry & industry
Applications
UsesKhusenol, is a component of Vetiver essential oil which is a highly esteemed basic ingredient of modern perfumery, hvaing a woody, earthy scent.
Suppliers3 total
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
1 records
Compound notes
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