ChemSpider 2D Image | 2,4a,6a,9,9,12a,14a-Heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenecarboxylic acid | C30H46O3

2,4a,6a,9,9,12a,14a-Heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenecarboxylic acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID35013951

More details:

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

2,4a,6a,9,9,12a,14a-Heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picencarbonsäure [German] [ACD/IUPAC Name]
2,4a,6a,9,9,12a,14a-Heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenecarboxylic acid [ACD/IUPAC Name]
2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo- [ACD/Index Name]
Acide 2,4a,6a,9,9,12a,14a-heptaméthyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picènecarboxylique [French] [ACD/IUPAC Name]
2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
3-Oxo-8-multifloren-29-oic acid
Bryononic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 301.4±26.6 °C
Index of Refraction: 1.552
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 207795.44
ACD/KOC (pH 5.5): 133236.53
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 3342.33
ACD/KOC (pH 7.4): 2143.07
Polar Surface Area: 54 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site


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