Basic information
- CAS
5951-67-7- Standard SMILES
C=C[C@]1(C)CCC(=C(C)C)C=C1C(C)C- InChIKey
QDUJKDRUFBJYSQ-OAHLLOKOSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
α-elemene has been reported in Solanum tuberosum, Elsholtzia fruticosa, and other organisms with data available.
Names & identifiers
- Preferred name
- alpha-Elemene
- IUPAC
- (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene
- English name
- (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
alpha-Elemene5951-67-7.alpha.-ElemeneUNII-79BY281T5YELEMENE, ALPHAo-Menth-2-ene, 4-isopropylidene-1-vinyl-79BY281T5Y(S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexeneCyclohexene, 6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)-, (S)-(+)-.ALPHA.-ELEMENEa-elemene
Show more names
α-Elemene(S)-6-Methyl-1-isopropyl-3-(1-methylethylidene)-6-vinylcyclohexeneCyclohexene, 6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)-, (6S)-
1-Isopropyl-6-methyl-3-(1-methylethylidene)-6-vinyl-1-cyclohexene-, (S)-(+)-ALPHA-ELEMENERefChem:111224QDUJKDRUFBJYSQ-HNNXBMFYSA-NQDUJKDRUFBJYSQ-OAHLLOKOSA-N(6S)-6-ETHENYL-6-METHYL-1-PROPAN-2-YL-3-PROPAN-2-YLIDENE-CYCLOHEXENESCHEMBL566178DTXSID801364506
Database identifiers
- CAS
5951-67-7- PubChem CID
- 80048
- DTXSID
DTXSID801364506- UNII
- 79BY281T5Y
- Nikkaji
- J12.784A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 277.87 °C · 277.87°C (rough estimate)
- Density
- 0.8782 · 0.8782
- refractive index
- 1.513 · 1.5130
- LogP
- 6.778 · 6.778 (est)
- FDA UNII
- 79 BY281T5Y · 79BY281T5Y
Chemistry & industry
Applications
Usesα-Elemene is a useful reagent for fragrance research. It can be used for in vitro evaluation of antioxidant properties fromSatureja montana L.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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