ChemSpider 2D Image | (3S)-3-Cyclohexyl-3-hydroxybutanoic acid | C10H18O3

(3S)-3-Cyclohexyl-3-hydroxybutanoic acid

  • Molecular FormulaC10H18O3
  • Average mass186.248 Da
  • Monoisotopic mass186.125595 Da
  • ChemSpider ID32797598
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Cyclohexyl-3-hydroxybutanoic acid [ACD/IUPAC Name]
(3S)-3-Cyclohexyl-3-hydroxybutansäure [German] [ACD/IUPAC Name]
36567-74-5 [RN]
Acide (3S)-3-cyclohexyl-3-hydroxybutanoïque [French] [ACD/IUPAC Name]
Cyclohexanepropanoic acid, β-hydroxy-β-methyl-, (βS)- [ACD/Index Name]
17692-20-5 [RN]
CYCLOBUTOIC ACID
UNII-86KE25F200

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

0N79EI8U12 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 332.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 169.3±19.7 °C
Index of Refraction: 1.506
Molar Refractivity: 49.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.90
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 164.8±3.0 cm3

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