Found 1 result

Search term: valerena-4,7(11)-diene (Found by approved synonym)

ChemSpider 2D Image | valerena-4,7(11)-diene | C15H24

valerena-4,7(11)-diene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID28287978
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

(4S,7R,7aR)-3,7-Dimethyl-4-(2-methyl-1-propen-1-yl)-2,4,5,6,7,7a-hexahydro-1H-inden [German] [ACD/IUPAC Name]
(4S,7R,7aR)-3,7-Dimethyl-4-(2-methyl-1-propen-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indene [ACD/IUPAC Name]
(4S,7R,7aR)-3,7-Diméthyl-4-(2-méthyl-1-propén-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indène [French] [ACD/IUPAC Name]
1H-Indene, 2,4,5,6,7,7a-hexahydro-3,7-dimethyl-4-(2-methyl-1-propen-1-yl)-, (4S,7R,7aR)- [ACD/Index Name]
valerena-4,7(11)-diene
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-en-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indene
(4S,7R,7aR)-3,7-dimethyl-4-(3,3-dimethylallyl)-2,4,5,6,7,7a-hexahydro-1H-indene
valerena-1,10-diene
  • Miscellaneous
    • Chemical Class:

      A bicyclic sesquiterpene that is 2,4,5,6,7,7a-hexahydro-1<element>H</element>-indene substituted at positions 3 and 7 by methyl groups and at position 4 by a 3,3-dimethylallyl group (the 4<stereo>S</s tereo>,7<stereo>R</stereo>,7a<stereo>R</stereo>-stereoisomer). ChEBI CHEBI:68625
      A bicyclic sesquiterpene that is 2,4,5,6,7,7a-hexahydro-1H-indene substituted at positions 3 and 7 by methyl groups and at position 4 by a 3,3-dimethylallyl group (the 4S,7R,7aR-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68625

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 272.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.0±0.8 kJ/mol
Flash Point: 107.0±13.8 °C
Index of Refraction: 1.499
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20438.33
ACD/KOC (pH 5.5): 42364.61
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20438.33
ACD/KOC (pH 7.4): 42364.61
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 226.5±5.0 cm3

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