Found 12 results

Search term: MF = 'C_{40}H_{66}O_{4}'
ChemSpider 2D Image | 5-[(1S,6S,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methylpentyl 3-methyl-5-[(1S,8aR)-5,5,8a-trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]pentanoate | C40H66O4

5-[(1S,6S,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methylpentyl 3-methyl-5-[(1S,8aR)-5,5,8a-trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]pentanoate

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID8707197

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

1-Naphthalenepentanoic acid, decahydro-β,5,5,8a-tetramethyl-2-methylene-6-oxo-, 5-[(1S,6S,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methylpentyl ester, (1S,8aR)- [ACD/Index Name]
3-Méthyl-5-[(1S,8aR)-5,5,8a-triméthyl-2-méthylène-6-oxodécahydro-1-naphtalényl]pentanoate de 5-[(1S,6S,8aR)-6-hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]-3-méthylpentyle [French] [ACD/IUPAC Name]
5-[(1S,6S,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]-3-methylpentyl-3-methyl-5-[(1S,8aR)-5,5,8a-trimethyl-2-methylen-6-oxodecahydro-1-naphthalinyl]pentanoat [German] [ACD/IUPAC Name]
5-[(1S,6S,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methylpentyl 3-methyl-5-[(1S,8aR)-5,5,8a-trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]pentanoate [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±6.0 kJ/mol
Flash Point: 182.6±25.0 °C
Index of Refraction: 1.519
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 10.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 64 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 597.9±5.0 cm3

Click to predict properties on the Chemicalize site


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