ChemSpider 2D Image | (1R,2R,4aS,8aS)-1-{(3E)-6-[(1R)-2,2-Dimethyl-6-methylenecyclohexyl]-4-methyl-3-hexen-1-yl}-2,5,5,8a-tetramethyldecahydro-2-naphthalenol | C30H52O

(1R,2R,4aS,8aS)-1-{(3E)-6-[(1R)-2,2-Dimethyl-6-methylenecyclohexyl]-4-methyl-3-hexen-1-yl}-2,5,5,8a-tetramethyldecahydro-2-naphthalenol

  • Molecular FormulaC30H52O
  • Average mass428.733 Da
  • Monoisotopic mass428.401825 Da
  • ChemSpider ID31150529

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,4aS,8aS)-1-{(3E)-6-[(1R)-2,2-Dimethyl-6-methylencyclohexyl]-4-methyl-3-hexen-1-yl}-2,5,5,8a-tetramethyldecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(1R,2R,4aS,8aS)-1-{(3E)-6-[(1R)-2,2-Diméthyl-6-méthylènecyclohexyl]-4-méthyl-3-hexén-1-yl}-2,5,5,8a-tétraméthyldécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(1R,2R,4aS,8aS)-1-{(3E)-6-[(1R)-2,2-Dimethyl-6-methylenecyclohexyl]-4-methyl-3-hexen-1-yl}-2,5,5,8a-tetramethyldecahydro-2-naphthalenol [ACD/IUPAC Name]
2-Naphthalenol, 1-[(3E)-6-[(1R)-2,2-dimethyl-6-methylenecyclohexyl]-4-methyl-3-hexen-1-yl]decahydro-2,5,5,8a-tetramethyl-, (1R,2R,4aS,8aS)- [ACD/Index Name]
(1R,2R,4aS,8aS)-1-{(3E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl}-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
1-(6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphthol
ambrein [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 495.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 221.9±12.4 °C
Index of Refraction: 1.511
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 11.90
ACD/LogD (pH 5.5): 10.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8702095.00
ACD/LogD (pH 7.4): 10.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8702095.00
Polar Surface Area: 20 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 36.2±5.0 dyne/cm
Molar Volume: 452.1±5.0 cm3

Click to predict properties on the Chemicalize site


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