ChemSpider 2D Image | (6alpha,7Z)-Ophiobola-3,7,19-trien-5-one | C25H38O

(6α,7Z)-Ophiobola-3,7,19-trien-5-one

  • Molecular FormulaC25H38O
  • Average mass354.569 Da
  • Monoisotopic mass354.292267 Da
  • ChemSpider ID29215332

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6α,7Z)-Ophiobola-3,7,19-trien-5-on [German] [ACD/IUPAC Name]
(6α,7Z)-Ophiobola-3,7,19-trien-5-one [ACD/IUPAC Name]
(6α,7Z)-Ophiobola-3,7,19-trién-5-one [French] [ACD/IUPAC Name]
Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(1S)-1,5-dimethyl-4-hexen-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-1,4,9a-trimethyl-, (3aR,4Z,6aS,7R,9aR,10aS)- [ACD/Index 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: 456.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 230.2±12.6 °C
Index of Refraction: 1.508
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 523949.91
ACD/KOC (pH 5.5): 431955.41
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 523949.91
ACD/KOC (pH 7.4): 431955.41
Polar Surface Area: 17 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 372.3±3.0 cm3

Click to predict properties on the Chemicalize site


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