ChemSpider 2D Image | (3E,6S)-3,11-Dimethyl-7-methylene-1,3,10-dodecatrien-6-yl acetate | C17H26O2

(3E,6S)-3,11-Dimethyl-7-methylene-1,3,10-dodecatrien-6-yl acetate

  • Molecular FormulaC17H26O2
  • Average mass262.387 Da
  • Monoisotopic mass262.193268 Da
  • ChemSpider ID28284406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3E,6S)-3,11-Dimethyl-7-methylen-1,3,10-dodecatrien-6-yl-acetat [German] [ACD/IUPAC Name]
(3E,6S)-3,11-Dimethyl-7-methylene-1,3,10-dodecatrien-6-yl acetate [ACD/IUPAC Name]
1,3,10-Dodecatrien-6-ol, 3,11-dimethyl-7-methylene-, acetate, (3E,6S)- [ACD/Index Name]
Acétate de (3E,6S)-3,11-diméthyl-7-méthylène-1,3,10-dodécatrién-6-yle [French] [ACD/IUPAC Name]
gorgonian sesquiterpene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 346.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 105.8±23.2 °C
Index of Refraction: 1.475
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3778.94
ACD/KOC (pH 5.5): 12655.39
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3778.94
ACD/KOC (pH 7.4): 12655.39
Polar Surface Area: 26 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 289.8±3.0 cm3

Click to predict properties on the Chemicalize site


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