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Search term: 61318982 (Found by CSID)
ChemSpider 2D Image | (4R)-3-[(1S)-1-Hydroxybutyl]-2,4-dimethyl-2-cyclopenten-1-one | C11H18O2

(4R)-3-[(1S)-1-Hydroxybutyl]-2,4-dimethyl-2-cyclopenten-1-one

  • Molecular FormulaC11H18O2
  • Average mass182.259 Da
  • Monoisotopic mass182.130676 Da
  • ChemSpider ID61318982

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-3-[(1S)-1-Hydroxybutyl]-2,4-dimethyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R)-3-[(1S)-1-Hydroxybutyl]-2,4-dimethyl-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R)-3-[(1S)-1-Hydroxybutyl]-2,4-diméthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 3-[(1S)-1-hydroxybutyl]-2,4-dimethyl-, (4R)- [ACD/Index Name]
1311163-09-3 [RN]
Phomotenone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 301.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 127.4±14.7 °C
Index of Refraction: 1.490
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.23
ACD/KOC (pH 5.5): 278.06
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.23
ACD/KOC (pH 7.4): 278.06
Polar Surface Area: 37 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 180.6±3.0 cm3

Click to predict properties on the Chemicalize site


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