ChemSpider 2D Image | (3S)-2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosapentaen-1-yl]oxirane | C30H50O

(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosapentaen-1-yl]oxirane

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID24823131
  • 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

(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosapentaen-1-yl]oxiran [German] [ACD/IUPAC Name]
(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethyl-3,7,11,15,19-henicosapentaen-1-yl]oxirane [ACD/IUPAC Name]
(3S)-2,2-Diméthyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentaméthyl-3,7,11,15,19-hénicosapentaén-1-yl]oxirane [French] [ACD/IUPAC Name]
Oxirane, 2,2-dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaen-1-yl]-, (3S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 504.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 245.6±19.5 °C
Index of Refraction: 1.492
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 10.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7029536.50
ACD/LogD (pH 7.4): 10.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7029536.50
Polar Surface Area: 13 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 483.5±3.0 cm3

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