ChemSpider 2D Image | Methyl (3R)-3-hydroxyhexanoate | C7H14O3

Methyl (3R)-3-hydroxyhexanoate

  • Molecular FormulaC7H14O3
  • Average mass146.184 Da
  • Monoisotopic mass146.094299 Da
  • ChemSpider ID18799687

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxyhexanoate de méthyle [French] [ACD/IUPAC Name]
Hexanoic acid, 3-hydroxy-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-3-hydroxyhexanoate [ACD/IUPAC Name]
Methyl-(3R)-3-hydroxyhexanoat [German] [ACD/IUPAC Name]
(3S)-3-hydroxyhexanoic acid methyl ester
109053-86-3 [RN]
21188-58-9 [RN]
244-261-0 [EINECS]
Methyl (3S)-3-hydroxyhexanoate [ACD/IUPAC Name]
Methyl 3-hydroxyhexanoate [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII-8H646ZUC4E [DBID]

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

    Density: 1.0±0.0 g/cm3
    Boiling Point: 223.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±0.0 kJ/mol
    Flash Point: 85.0±0.0 °C
    Index of Refraction: 1.432
    Molar Refractivity: 37.7±0.0 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): 0.51
    ACD/BCF (pH 5.5): 1.44
    ACD/KOC (pH 5.5): 45.25
    ACD/LogD (pH 7.4): 0.51
    ACD/BCF (pH 7.4): 1.44
    ACD/KOC (pH 7.4): 45.25
    Polar Surface Area: 47 Å2
    Polarizability: 15.0±0.0 10-24cm3
    Surface Tension: 33.3±0.0 dyne/cm
    Molar Volume: 145.4±0.0 cm3

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