ChemSpider 2D Image | (+)-Anisomorphal | C10H14O2

(+)-Anisomorphal

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID32702322

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(+)-Anisomorphal
(1S,2S,3S)-Dolichodial
(1S,2S,5S)-2-Methyl-5-(3-oxo-1-propen-2-yl)cyclopentancarbaldehyd [German] [ACD/IUPAC Name]
(1S,2S,5S)-2-Methyl-5-(3-oxo-1-propen-2-yl)cyclopentanecarbaldehyde [ACD/IUPAC Name]
(1S,2S,5S)-2-Méthyl-5-(3-oxo-1-propén-2-yl)cyclopentanecarbaldéhyde [French] [ACD/IUPAC Name]
3671-76-9 [RN]
Anisomorphal
ANISOMORPHAL, (+)-
Cyclopentaneacetaldehyde, 2-formyl-3-methyl-α-methylene-, (1S,2S,3S)- [ACD/Index Name]
1127-66-8 [RN]

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

48D28040JM [DBID]
UNII:48D28040JM [DBID]
UNII-48D28040JM [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 269.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 99.7±22.4 °C
Index of Refraction: 1.518
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 156.60
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.18
ACD/KOC (pH 7.4): 156.60
Polar Surface Area: 34 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

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