ChemSpider 2D Image | 9-Hydroxy-9-methyl-14-[(phenylsulfanyl)methyl]tetracyclo[11.2.1.0~1,10~.0~3,8~]hexadec-4-en-11-one | C24H30O2S

9-Hydroxy-9-methyl-14-[(phenylsulfanyl)methyl]tetracyclo[11.2.1.01,10.03,8]hexadec-4-en-11-one

  • Molecular FormulaC24H30O2S
  • Average mass382.559 Da
  • Monoisotopic mass382.196655 Da
  • ChemSpider ID21138868

More details:

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

1,2,4a,5,6,7,8,9,10,10a,11,11a-dodecahydro-11-hydroxy-11-methyl-7-phenylthiomethyl-5aH-5a,8-methanocyclohepta(b)naphthalen-10-one
5a,8-Methano-5aH-cyclohepta[b]naphthalen-10(2H)-one, 1,4a,5,6,7,8,9,10a,11,11a-decahydro-11-hydroxy-11-methyl-7-[(phenylthio)methyl]- [ACD/Index Name]
9-Hydroxy-9-methyl-14-[(phenylsulfanyl)methyl]tetracyclo[11.2.1.01,10.03,8]hexadec-4-en-11-on [German] [ACD/IUPAC Name]
9-Hydroxy-9-methyl-14-[(phenylsulfanyl)methyl]tetracyclo[11.2.1.01,10.03,8]hexadec-4-en-11-one [ACD/IUPAC Name]
9-Hydroxy-9-méthyl-14-[(phénylsulfanyl)méthyl]tétracyclo[11.2.1.01,10.03,8]hexadéc-4-én-11-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3921.27
ACD/KOC (pH 5.5): 12994.78
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3921.27
ACD/KOC (pH 7.4): 12994.78
Polar Surface Area: 63 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

Click to predict properties on the Chemicalize site


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