ChemSpider 2D Image | (3S,3aR,5aR,7Z,11Z,14aR,14bR)-3-Isopropenyl-5a,8,12,14b-tetramethyl-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene | C25H40

(3S,3aR,5aR,7Z,11Z,14aR,14bR)-3-Isopropenyl-5a,8,12,14b-tetramethyl-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene

  • Molecular FormulaC25H40
  • Average mass340.585 Da
  • Monoisotopic mass340.312988 Da
  • ChemSpider ID76963028

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,3aR,5aR,7Z,11Z,14aR,14bR)-3-Isopropenyl-5a,8,12,14b-tetramethyl-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]inden [German] [ACD/IUPAC Name]
(3S,3aR,5aR,7Z,11Z,14aR,14bR)-3-Isopropenyl-5a,8,12,14b-tetramethyl-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene [ACD/IUPAC Name]
(3S,3aR,5aR,7Z,11Z,14aR,14bR)-3-Isopropényl-5a,8,12,14b-tétraméthyl-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tétradécahydrocycloundéca[e]indène [French] [ACD/IUPAC Name]
Cycloundec[e]indene, 1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydro-5a,8,12,14b-tetramethyl-3-(1-methylethenyl)-, (3S,3aR,5aR,7Z,11Z,14aR,14bR)- [ACD/Index Name]
stellata-2,6,19-triene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 419.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 64.7±0.8 kJ/mol
Flash Point: 202.6±23.6 °C
Index of Refraction: 1.494
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 11.03
ACD/LogD (pH 5.5): 9.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5482629.00
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5482629.00
Polar Surface Area: 0 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 378.9±3.0 cm3

Click to predict properties on the Chemicalize site


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