ChemSpider 2D Image | (6S)-3-Isopropylidene-6-methyl-1-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-6-vinylcyclohexene | C15H18D6

(6S)-3-Isopropylidene-6-methyl-1-[(1,1,1,3,3,3-2H6)-2-propanyl]-6-vinylcyclohexene

  • Molecular FormulaC15H18D6
  • Average mass210.388 Da
  • Monoisotopic mass210.225464 Da
  • ChemSpider ID107444693

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6S)-3-Isopropyliden-6-methyl-1-[(1,1,1,3,3,3-2H6)-2-propanyl]-6-vinylcyclohexen [German] [ACD/IUPAC Name]
(6S)-3-Isopropylidene-6-methyl-1-[(1,1,1,3,3,3-2H6)-2-propanyl]-6-vinylcyclohexene [ACD/IUPAC Name]
(6S)-3-Isopropylidène-6-méthyl-1-[(1,1,1,3,3,3-2H6)-2-propanyl]-6-vinylcyclohexène [French] [ACD/IUPAC Name]
Cyclohexene, 6-ethenyl-6-methyl-1-[1-(methyl-d3)ethyl-2,2,2-d3]-3-(1-methylethylidene)-, (6S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 254.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.2±0.8 kJ/mol
Flash Point: 99.6±16.6 °C
Index of Refraction: 1.518
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13453.91
ACD/KOC (pH 5.5): 31406.38
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13453.91
ACD/KOC (pH 7.4): 31406.38
Polar Surface Area: 0 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 231.0±3.0 cm3

Click to predict properties on the Chemicalize site


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