ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-hydroxy-4-pentenoate | C9H16O3

2-Methyl-2-propanyl (3S)-3-hydroxy-4-pentenoate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID29303297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-4-penténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3S)-3-hydroxy-4-pentenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-hydroxy-4-pentenoat [German] [ACD/IUPAC Name]
4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
(3s)-3-hydroxy-4-pentenoic acid tert-butyl ester
(S)-tert-butyl 3-hydroxypent-4-enoate
(S)-tert-butyl-3-hydroxypent-4-enoate
1040390-31-5 [RN]
MFCD18207176
TERT-BUTYL (3S)-3-HYDROXYPENT-4-ENOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 238.1±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 55.2±6.0 kJ/mol
    Flash Point: 90.5±14.5 °C
    Index of Refraction: 1.451
    Molar Refractivity: 46.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 6.68
    ACD/KOC (pH 5.5): 135.55
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.68
    ACD/KOC (pH 7.4): 135.55
    Polar Surface Area: 47 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 32.1±3.0 dyne/cm
    Molar Volume: 173.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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