alpha-Cadinene, (+)-
Grundinformationen
- CAS
11044-40-9- Standard-SMILES
CC1=C[C@@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C- InChIKey
QMAYBMKBYCGXDH-KKUMJFAQSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
Alpha-cadinene is a cadinene sesquiterpene that consists of 1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene having two methyl substituents at positions 1 and 4 (the 1S,4aS,8aS-configuration). It has a role as a volatile oil component. It is a member of hexahydronaphthalenes and a cadinene.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Cadinene, (+)-
- IUPAC
- (1S,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
- Englischer Name
- α-Cadinene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
(+)-alpha-cadinenealpha-Cadinene, (+)-11044-40-9UNII-X650G04I0AX650G04I0A(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthaleneRefChem:27262CADINENE, alpha-, (+)-alpha-Cadinene(-)-alpha-Cadinene24406-05-1Cadina-4,9-diene, (-)-
Weitere Namen anzeigen
(1S,4aβ,8aα)-1α-Isopropyl-1,2,4a,5,6,8a-hexahydro-4,7-dimethylnaphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)-
(1S,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)- 1,2,4a,5,6,8a-hexahydronaphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-Cadinen(1S,4aR,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalenea-Cadinene(-)-a-CadineneSCHEMBL566939
Datenbank-Bezeichner
- CAS
11044-40-9、24406-05-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 293
Experimentelle und physikochemische Eigenschaften
Boiling Point271.00 to 272.00 °C. @ 760.00 mm Hg
Physikochemische Eigenschaften
- Siedepunkt
- 271.5 · 271.5±30.0 °C(Predicted)
- Dichte
- 0.876 · 0.876±0.06 g/cm3(Predicted)
- Geruch (Odor)
- 100 % · at 100.00 %. woody dry
- Geruchsart
- woody
- LogP
- 6.557 · 6.557 (est)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Zugehörige Reaktionen
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