Found 1 result

Search term: 78441519 (Found by CSID)
ChemSpider 2D Image | (2S,3S,5S)-2,3-Bis(hydroxymethyl)-5-(3-methyl-2-buten-1-yl)cyclopentanone | C12H20O3

(2S,3S,5S)-2,3-Bis(hydroxymethyl)-5-(3-methyl-2-buten-1-yl)cyclopentanone

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID78441519

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,5S)-2,3-Bis(hydroxymethyl)-5-(3-methyl-2-buten-1-yl)cyclopentanon [German] [ACD/IUPAC Name]
(2S,3S,5S)-2,3-Bis(hydroxymethyl)-5-(3-methyl-2-buten-1-yl)cyclopentanone [ACD/IUPAC Name]
(2S,3S,5S)-2,3-Bis(hydroxyméthyl)-5-(3-méthyl-2-butén-1-yl)cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2,3-bis(hydroxymethyl)-5-(3-methyl-2-buten-1-yl)-, (2S,3S,5S)- [ACD/Index Name]
Vibralactone I

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

Density: 1.0±0.1 g/cm3
Boiling Point: 352.8±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 181.4±16.1 °C
Index of Refraction: 1.491
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.36
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.36
Polar Surface Area: 58 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site


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