ChemSpider 2D Image | Megastigma-5,8(Z)-dien-4-one | C13H20O

Megastigma-5,8(Z)-dien-4-one

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID20058568
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
266-682-9 [EINECS]
2-Cyclohexen-1-one, 3-[(2Z)-2-buten-1-yl]-2,4,4-trimethyl- [ACD/Index Name]
3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-
3-[(2Z)-2-Buten-1-yl]-2,4,4-trimethyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-[(2Z)-2-Buten-1-yl]-2,4,4-trimethyl-2-cyclohexen-1-one [ACD/IUPAC Name]
3-[(2Z)-2-Butén-1-yl]-2,4,4-triméthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
3-[(2Z)-But-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
67401-25-6 [RN]
Megastigma-5,8(Z)-dien-4-one
More...

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

HLT92D5DPQ [DBID]
UNII:HLT92D5DPQ [DBID]
UNII-HLT92D5DPQ [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: 270.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 118.9±12.6 °C
Index of Refraction: 1.471
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.72
ACD/KOC (pH 5.5): 1877.05
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 262.72
ACD/KOC (pH 7.4): 1877.05
Polar Surface Area: 17 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement