ChemSpider 2D Image | Acetyl cedrene | C17H26O

Acetyl cedrene

  • Molecular FormulaC17H26O
  • Average mass246.388 Da
  • Monoisotopic mass246.198364 Da
  • ChemSpider ID28296357

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1β,5α,7β)-Cedr-8-en-9-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1β,5α,7β)-Cedr-8-en-9-yl]ethanone [ACD/IUPAC Name]
1-[(1β,5α,7β)-Cédr-8-én-9-yl]éthanone [French] [ACD/IUPAC Name]
251-020-3 [EINECS]
Acetyl cedrene
Ethanone, 1-[(3R,3aS,7S,8aR)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]- [ACD/Index Name]
Methyl Cedryl Ketone
MFCD03410252 [MDL number]
1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone
1-((3R,3aS,7S,8aR)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 340.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 142.8±14.2 °C
Index of Refraction: 1.517
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3513.24
ACD/KOC (pH 5.5): 12011.92
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3513.24
ACD/KOC (pH 7.4): 12011.92
Polar Surface Area: 17 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 34.6±5.0 dyne/cm
Molar Volume: 245.1±5.0 cm3

Click to predict properties on the Chemicalize site


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