ChemSpider 2D Image | (2S)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol | C13H24O

(2S)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol

  • Molecular FormulaC13H24O
  • Average mass196.329 Da
  • Monoisotopic mass196.182709 Da
  • ChemSpider ID34993891
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol [German] [ACD/IUPAC Name]
(2S)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol [ACD/IUPAC Name]
(2S)-4-(2,6,6-Triméthyl-1-cyclohexén-1-yl)-2-butanol [French] [ACD/IUPAC Name]
1-Cyclohexene-1-propanol, α,2,6,6-tetramethyl-, (αS)- [ACD/Index Name]
160022-97-9 [RN]
221-957-2 [EINECS]
3293-47-8 [RN]
DIHYDRO-β-IONOL
UNII-S3T0WG30TW

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

Density: 0.9±0.1 g/cm3
Boiling Point: 275.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.7±6.0 kJ/mol
Flash Point: 100.6±17.8 °C
Index of Refraction: 1.464
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 839.54
ACD/KOC (pH 5.5): 4311.52
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 839.54
ACD/KOC (pH 7.4): 4311.52
Polar Surface Area: 20 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 28.1±3.0 dyne/cm
Molar Volume: 222.6±3.0 cm3

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