ChemSpider 2D Image | (2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylaldehyde | C15H22O

(2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylaldehyde

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID35014020

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylaldehyd [German] [ACD/IUPAC Name]
(2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylaldehyde [ACD/IUPAC Name]
(2E)-3-(3,7-Diméthyl-2,4,5,6,7,7a-hexahydro-1H-indén-4-yl)-2-méthylacrylaldéhyde [French] [ACD/IUPAC Name]
2-Propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (2E)- [ACD/Index Name]
(2E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enal
4,7(11)-Valeradien-12-al
Valerenal

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.0±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 157.9±14.3 °C
Index of Refraction: 1.509
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1578.57
ACD/KOC (pH 5.5): 6775.11
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1578.57
ACD/KOC (pH 7.4): 6775.11
Polar Surface Area: 17 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 33.6±5.0 dyne/cm
Molar Volume: 223.7±5.0 cm3

Click to predict properties on the Chemicalize site


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