ChemSpider 2D Image | (R,E)-3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one | C14H22O

(R,E)-3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID71115931

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E)-3-Methyl-5-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-3-penten-2-on [German] [ACD/IUPAC Name]
(3E)-3-Methyl-5-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-3-penten-2-one
(3E)-3-Méthyl-5-[(1R)-2,2,3-triméthyl-3-cyclopentén-1-yl]-3-pentén-2-one [French] [ACD/IUPAC Name]
(R,E)-3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one [ACD/IUPAC Name]
19888947 [Beilstein]
3-Penten-2-one, 3-methyl-5-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-, (3E)- [ACD/Index Name]
L5UTJ A1 D2UY1&V1 E1 E1 &&(R)-(E)- Form [WLN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 284.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 121.5±11.9 °C
Index of Refraction: 1.467
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 667.12
ACD/KOC (pH 5.5): 3657.34
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 667.12
ACD/KOC (pH 7.4): 3657.34
Polar Surface Area: 17 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


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