ChemSpider 2D Image | (1S)-4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carbaldehyde | C13H22O2

(1S)-4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carbaldehyde

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID32787524
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-4-(4-Hydroxy-4-methylpentyl)-3-cyclohexen-1-carbaldehyd [German] [ACD/IUPAC Name]
(1S)-4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carbaldehyde [ACD/IUPAC Name]
(1S)-4-(4-Hydroxy-4-méthylpentyl)-3-cyclohexène-1-carbaldéhyde [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-, (1S)- [ACD/Index Name]
250-863-4 [EINECS]
31906-04-4 [RN]
HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE
UNII-QUE43B9Z2Q

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

Density: 1.0±0.1 g/cm3
Boiling Point: 318.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.9±6.0 kJ/mol
Flash Point: 135.1±20.5 °C
Index of Refraction: 1.528
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.62
ACD/KOC (pH 5.5): 848.33
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.62
ACD/KOC (pH 7.4): 848.33
Polar Surface Area: 37 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

Click to predict properties on the Chemicalize site






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