ChemSpider 2D Image | (2S,3S)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone | C22H32O4

(2S,3S)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID34985067

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanon [German] [ACD/IUPAC Name]
(2S,3S)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone [ACD/IUPAC Name]
(2S,3S)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phénoxybutyl)cyclopentanone [French] [ACD/IUPAC Name]
69648-40-4 [RN]
Cyclopentanone, 2-(7-hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)-, (2S,3S)- [ACD/Index Name]
rel-(2R,3R)-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone
(±)-trans-2-(7-Hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone
(2R,3R)-2-(7-hydroxyheptyl)-3-[3-keto-4-(phenoxy)butyl]cyclopentan-1-one
(2R,3R)-2-(7-hydroxyheptyl)-3-[3-oxo-4-(phenoxy)butyl]-1-cyclopentanone
(2R,3R)-2-(7-hydroxyheptyl)-3-[3-oxo-4-(phenoxy)butyl]cyclopentan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 515.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 173.1±15.3 °C
Index of Refraction: 1.514
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.24
ACD/KOC (pH 5.5): 907.92
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.24
ACD/KOC (pH 7.4): 907.92
Polar Surface Area: 64 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 338.9±3.0 cm3

Click to predict properties on the Chemicalize site


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