ChemSpider 2D Image | (3S,4R)-3-Hydroxy-4-isopropyl-1-cyclohexene-1-carbaldehyde | C10H16O2

(3S,4R)-3-Hydroxy-4-isopropyl-1-cyclohexene-1-carbaldehyde

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID24211356
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4R)-3-Hydroxy-4-isopropyl-1-cyclohexen-1-carbaldehyd [German] [ACD/IUPAC Name]
(3S,4R)-3-Hydroxy-4-isopropyl-1-cyclohexene-1-carbaldehyde [ACD/IUPAC Name]
(3S,4R)-3-Hydroxy-4-isopropyl-1-cyclohexène-1-carbaldéhyde [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxaldehyde, 3-hydroxy-4-(1-methylethyl)-, (3S,4R)- [ACD/Index Name]
(3S,4R)-3-hydroxy-4-isopropylcyclohex-1-enecarbaldehyde
152246-70-3 [RN]
166583-62-6 [RN]
1-Cyclohexene-1-carboxaldehyde, 3-hydroxy-4-(1-methylethyl)-, (3S,4R)- (9CI)
1-Cyclohexene-1-carboxaldehyde,3-hydroxy-4-(1-methylethyl)-,(3S,4R)-(9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 281.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.4±6.0 kJ/mol
Flash Point: 118.0±19.9 °C
Index of Refraction: 1.556
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.21
ACD/KOC (pH 5.5): 128.67
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 128.67
Polar Surface Area: 37 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 153.4±3.0 cm3

Click to predict properties on the Chemicalize site






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