ChemSpider 2D Image | (+)-13-Stemarene | C20H32

(+)-13-Stemarene

  • Molecular FormulaC20H32
  • Average mass272.468 Da
  • Monoisotopic mass272.250397 Da
  • ChemSpider ID21865699
  • defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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

(+)-13-Stemarene
(1R,2S,7S,10S,13R)-2,6,6,12-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-en [German] [ACD/IUPAC Name]
(1R,2S,7S,10S,13R)-2,6,6,12-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene [ACD/IUPAC Name]
(1R,2S,7S,10S,13R)-2,6,6,12-Tétraméthyltétracyclo[11.2.1.01,10.02,7]hexadéc-11-ène [French] [ACD/IUPAC Name]
9,11a-Methano-11aH-cyclohepta[a]naphthalene, 1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-4,4,8,11b-tetramethyl-, (4aS,6aS,9R,11aR,11bS)- [ACD/Index Name]
stemar-13-ene
(4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 56.7±0.8 kJ/mol
Flash Point: 170.2±7.2 °C
Index of Refraction: 1.530
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 595028.25
ACD/KOC (pH 5.5): 473134.84
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 595028.25
ACD/KOC (pH 7.4): 473134.84
Polar Surface Area: 0 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 35.4±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

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