ChemSpider 2D Image | (1E)-1-[(1S,5S,7R,8R)-6,6,8-Trimethyltricyclo[5.3.1.0~1,5~]undec-2-ylidene]acetone | C17H26O

(1E)-1-[(1S,5S,7R,8R)-6,6,8-Trimethyltricyclo[5.3.1.01,5]undec-2-ylidene]acetone

  • Molecular FormulaC17H26O
  • Average mass246.388 Da
  • Monoisotopic mass246.198364 Da
  • ChemSpider ID18520546

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1E)-1-[(1S,5S,7R,8R)-6,6,8-Trimethyltricyclo[5.3.1.01,5]undec-2-yliden]aceton [German] [ACD/IUPAC Name]
(1E)-1-[(1S,5S,7R,8R)-6,6,8-Trimethyltricyclo[5.3.1.01,5]undec-2-ylidene]acetone [ACD/IUPAC Name]
(1E)-1-[(1S,5S,7R,8R)-6,6,8-Triméthyltricyclo[5.3.1.01,5]undéc-2-ylidène]acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[(3aS,6R,7R,8aS)-octahydro-6,8,8-trimethyl-3H-3a,7-methanoazulen-3-ylidene]-, (1E)- [ACD/Index Name]
Acetylcedrene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 348.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 156.3±12.5 °C
Index of Refraction: 1.519
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1847.68
ACD/KOC (pH 5.5): 7583.14
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1847.68
ACD/KOC (pH 7.4): 7583.14
Polar Surface Area: 17 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 35.4±5.0 dyne/cm
Molar Volume: 245.2±5.0 cm3

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