Found 1 result

Search term: 30772434 (Found by CSID)
ChemSpider 2D Image | (4S,5R)-4-Isopropenyl-2-isopropylidene-5-methyl-5-vinylcyclohexanone | C15H22O

(4S,5R)-4-Isopropenyl-2-isopropylidene-5-methyl-5-vinylcyclohexanone

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID30772434

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-4-Isopropenyl-2-isopropyliden-5-methyl-5-vinylcyclohexanon [German] [ACD/IUPAC Name]
(4S,5R)-4-Isopropenyl-2-isopropylidene-5-methyl-5-vinylcyclohexanone [ACD/IUPAC Name]
(4S,5R)-4-Isopropényl-2-isopropylidène-5-méthyl-5-vinylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S,5R)- [ACD/Index Name]
Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, cis-

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 300.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 137.0±18.7 °C
Index of Refraction: 1.522
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1593.17
ACD/KOC (pH 5.5): 6819.89
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1593.17
ACD/KOC (pH 7.4): 6819.89
Polar Surface Area: 17 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


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