ChemSpider 2D Image | (5S)-4-[(3E,7E)-4,8-Dimethyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-5-hydroxy-2(5H)-furanone | C25H38O3

(5S)-4-[(3E,7E)-4,8-Dimethyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-5-hydroxy-2(5H)-furanone

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID57643036

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-4-[(3E,7E)-4,8-Dimethyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-5-hydroxy-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-4-[(3E,7E)-4,8-Dimethyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-5-hydroxy-2(5H)-furanone [ACD/IUPAC Name]
(5S)-4-[(3E,7E)-4,8-Diméthyl-10-(2,6,6-triméthyl-1-cyclohexén-1-yl)-3,7-décadién-1-yl]-5-hydroxy-2(5H)-furanone [French] [ACD/IUPAC Name]
(5s)-4-[(3e,7e)-4,8-Dimethyl-10-(2,6,6-Trimethylcyclohex-1-En-1-Yl)deca-3,7-Dien-1-Yl]-5-Hydroxyfuran-2(5h)-One
2(5H)-Furanone, 4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-5-hydroxy-, (5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 209.3±22.9 °C
Index of Refraction: 1.517
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51157.19
ACD/KOC (pH 5.5): 81698.36
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51025.19
ACD/KOC (pH 7.4): 81487.56
Polar Surface Area: 47 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 384.2±3.0 cm3

Click to predict properties on the Chemicalize site


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