ChemSpider 2D Image | (3aR,6Z,10Z,14E,15aS)-6,14-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acid | C20H26O4

(3aR,6Z,10Z,14E,15aS)-6,14-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acid

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID62989910

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6Z,10Z,14E,15aS)-6,14-Dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carbonsäure [German] [ACD/IUPAC Name]
(3aR,6Z,10Z,14E,15aS)-6,14-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acid [ACD/IUPAC Name]
Acide (3aR,6Z,10Z,14E,15aS)-6,14-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,12,13,15a-décahydrocyclotétradéca[b]furane-10-carboxylique [French] [ACD/IUPAC Name]
Cyclotetradeca[b]furan-10-carboxylic acid, 2,3,3a,4,5,8,9,12,13,15a-decahydro-6,14-dimethyl-3-methylene-2-oxo-, (3aR,6Z,10Z,14E,15aS)- [ACD/Index Name]
59632-76-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 191.7±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 110.79
ACD/KOC (pH 5.5): 596.25
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 9.54
Polar Surface Area: 64 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 293.2±5.0 cm3

Click to predict properties on the Chemicalize site


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