ChemSpider 2D Image | 3,5,5-Trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaen-1-yl]-3-cyclohexen-1-ol | C30H42O

3,5,5-Trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaen-1-yl]-3-cyclohexen-1-ol

  • Molecular FormulaC30H42O
  • Average mass418.654 Da
  • Monoisotopic mass418.323578 Da
  • ChemSpider ID35013996

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5,5-Trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaen-1-yl]-3-cyclohexen-1-ol [German] [ACD/IUPAC Name]
3,5,5-Trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaen-1-yl]-3-cyclohexen-1-ol [ACD/IUPAC Name]
3,5,5-Triméthyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tétraméthyl-1,3,5,7,9,11,13,15-heptadécaoctaén-1-yl]-3-cyclohexén-1-ol [French] [ACD/IUPAC Name]
3-Cyclohexen-1-ol, 3,5,5-trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaen-1-yl]- [ACD/Index Name]
3,5,5-trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]cyclohex-3-en-1-ol
58947-97-0 [RN]
8'-Apo-b-caroten-3-ol
b-Citraurinene
β-Citraurinene

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 569.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 241.9±16.5 °C
Index of Refraction: 1.560
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 8.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1432674.38
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1432674.38
Polar Surface Area: 20 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 438.6±3.0 cm3

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