ChemSpider 2D Image | (S)-(+)-chichimol ketone | C8H14O

(S)-(+)-chichimol ketone

  • Molecular FormulaC8H14O
  • Average mass126.196 Da
  • Monoisotopic mass126.104462 Da
  • ChemSpider ID28286432

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(S)-(+)-chichimol ketone
(4S)-4-Methyl-1-hepten-3-on [German] [ACD/IUPAC Name]
(4S)-4-Methyl-1-hepten-3-one [ACD/IUPAC Name]
(4S)-4-Méthyl-1-heptén-3-one [French] [ACD/IUPAC Name]
1-Hepten-3-one, 4-methyl-, (4S)- [ACD/Index Name]
chichimol ketone
(S)-4-Methyl-1-hepten-3-one
4S-methyl-1-hepten-3-one
915105-71-4 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 170.4±9.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 54.4±11.9 °C
Index of Refraction: 1.421
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.65
ACD/KOC (pH 5.5): 476.12
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.65
ACD/KOC (pH 7.4): 476.12
Polar Surface Area: 17 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 24.8±3.0 dyne/cm
Molar Volume: 153.2±3.0 cm3

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