ChemSpider 2D Image | 3-(2-{2-[6-(2-Carboxyethyl)-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-yl]ethyl}-6-isopropenyl-1-methyl-3-methylenecyclohexyl)propanoic acid | C30H46O4

3-(2-{2-[6-(2-Carboxyethyl)-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-yl]ethyl}-6-isopropenyl-1-methyl-3-methylenecyclohexyl)propanoic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID35014248

More details:

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

3-(2-{2-[6-(2-Carboxyethyl)-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-yl]ethyl}-6-isopropenyl-1-methyl-3-methylencyclohexyl)propansäure [German] [ACD/IUPAC Name]
3-(2-{2-[6-(2-Carboxyethyl)-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-yl]ethyl}-6-isopropenyl-1-methyl-3-methylenecyclohexyl)propanoic acid [ACD/IUPAC Name]
3-Cyclohexene-1-propanoic acid, 2-[2-[2-(2-carboxyethyl)-2-methyl-6-methylene-3-(1-methylethenyl)cyclohexyl]ethyl]-1,3-dimethyl-6-(1-methylethenyl)- [ACD/Index Name]
Acide 3-(2-{2-[6-(2-carboxyéthyl)-5-isopropényl-2,6-diméthyl-2-cyclohexén-1-yl]éthyl}-6-isopropényl-1-méthyl-3-méthylènecyclohexyl)propanoïque [French] [ACD/IUPAC Name]
21,22-bisseco-4(23),7,14(27),22(29)-onoceratetraene-3,21-dioic acid
3-(2-{2-[6-(2-carboxyethyl)-2,6-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]ethyl}-1-methyl-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl)propanoic acid
Lansic acid

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

3,4 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 596.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 328.6±26.6 °C
Index of Refraction: 1.525
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 23314.68
ACD/KOC (pH 5.5): 15653.88
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 24.97
ACD/KOC (pH 7.4): 16.77
Polar Surface Area: 75 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 451.9±5.0 cm3

Click to predict properties on the Chemicalize site


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