ChemSpider 2D Image | (3R)-3-Methyl-1-hexen-5-yn-3-ol | C7H10O

(3R)-3-Methyl-1-hexen-5-yn-3-ol

  • Molecular FormulaC7H10O
  • Average mass110.154 Da
  • Monoisotopic mass110.073166 Da
  • ChemSpider ID74043460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Methyl-1-hexen-5-in-3-ol [German] [ACD/IUPAC Name]
(3R)-3-Methyl-1-hexen-5-yn-3-ol [ACD/IUPAC Name]
(3R)-3-Méthyl-1-hexén-5-yn-3-ol [French] [ACD/IUPAC Name]
1-Hexen-5-yn-3-ol, 3-methyl-, (3R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 171.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.5±6.0 kJ/mol
Flash Point: 89.2±14.1 °C
Index of Refraction: 1.469
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 99.05
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 99.05
Polar Surface Area: 20 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 120.5±3.0 cm3

Click to predict properties on the Chemicalize site


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