Found 1 result

Search term: 109107930 (Found by CSID)
ChemSpider 2D Image | 4-Hydroxy-3-{(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3,7-dimethyl-2,6-nonadien-1-yl}-6-methyl-2H-pyran-2-one | C26H38O4

4-Hydroxy-3-{(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3,7-dimethyl-2,6-nonadien-1-yl}-6-methyl-2H-pyran-2-one

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID109107930

  • 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

2H-Pyran-2-one, 4-hydroxy-3-[(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3,7-dimethyl-2,6-nonadien-1-yl]-6-methyl- [ACD/Index Name]
4-Hydroxy-3-{(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylencyclohexyl]-3,7-dimethyl-2,6-nonadien-1-yl}-6-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-{(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3,7-dimethyl-2,6-nonadien-1-yl}-6-methyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-{(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-diméthyl-6-méthylènecyclohexyl]-3,7-diméthyl-2,6-nonadién-1-yl}-6-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
1801167-48-5 [RN]
4-hydroxy-3-[(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dienyl]-6-methylpyran-2-one
Sartorypyrone D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 176.4±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 5686.01
ACD/KOC (pH 5.5): 13186.20
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 125.09
ACD/KOC (pH 7.4): 290.10
Polar Surface Area: 67 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

Click to predict properties on the Chemicalize site


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