ChemSpider 2D Image | (3S,6R)-3-Methyl-6-isopropenyl-9-decen-1-yl acetate | C16H28O2

(3S,6R)-3-Methyl-6-isopropenyl-9-decen-1-yl acetate

  • Molecular FormulaC16H28O2
  • Average mass252.392 Da
  • Monoisotopic mass252.208923 Da
  • ChemSpider ID23352169

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6R)-3-Methyl-6-(prop-1-en-2-yl)dec-9-en-1-yl acetate
(3S,6R)-3-Methyl-6-isopropenyl-9-decen-1-yl acetate
(3S,6R)-6-Isopropenyl-3-methyl-9-decen-1-yl acetate [ACD/IUPAC Name]
(3S,6R)-6-Isopropenyl-3-methyl-9-decen-1-yl-acetat [German] [ACD/IUPAC Name]
67601-06-3 [RN]
9-Decen-1-ol, 3-methyl-6-(1-methylethenyl)-, acetate, (3S,6R)- [ACD/Index Name]
Acétate de (3S,6R)-6-isopropényl-3-méthyl-9-décén-1-yle [French] [ACD/IUPAC Name]
3-METHYL-6-ISOPROPENYL-9-DECEN-1-YL ACETATE, (3S,6R)-

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

H6Y7SV5891 [DBID]
UNII:H6Y7SV5891 [DBID]
UNII-H6Y7SV5891 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 320.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 93.3±23.2 °C
Index of Refraction: 1.450
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8998.45
ACD/KOC (pH 5.5): 23549.57
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 8998.45
ACD/KOC (pH 7.4): 23549.57
Polar Surface Area: 26 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

Click to predict properties on the Chemicalize site


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