ChemSpider 2D Image | (2Z)-?-damascenone | C13H18O

(2Z)-?-damascenone

  • Molecular FormulaC13H18O
  • Average mass190.281 Da
  • Monoisotopic mass190.135757 Da
  • ChemSpider ID24590142

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-?-damascenone
(2Z)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2Z)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one [ACD/IUPAC Name]
(2Z)-1-(2,6,6-Triméthyl-1,3-cyclohexadién-1-yl)-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)- [ACD/Index Name]
59739-63-8 [RN]
β-DAMASCENONE, (2Z)-
(2Z)-1-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-2-en-1-one
1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
23726-93-4 [RN]
More...

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

I511R3SL51 [DBID]
UNII:I511R3SL51 [DBID]
UNII-I511R3SL51 [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: 275.6±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 111.0±14.0 °C
Index of Refraction: 1.491
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.49
ACD/KOC (pH 5.5): 3245.18
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.49
ACD/KOC (pH 7.4): 3245.18
Polar Surface Area: 17 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site


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