Found 3 results

Search term: YALSXYCXTKPOFY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-1-Penten-4-yn-3-ol | C5H6O

(3S)-1-Penten-4-yn-3-ol

  • Molecular FormulaC5H6O
  • Average mass82.101 Da
  • Monoisotopic mass82.041862 Da
  • ChemSpider ID61387531

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Penten-4-in-3-ol [German] [ACD/IUPAC Name]
(3S)-1-Penten-4-yn-3-ol [ACD/IUPAC Name]
(3S)-1-Pentén-4-yn-3-ol [French] [ACD/IUPAC Name]
1-Penten-4-yn-3-ol, (3S)- [ACD/Index Name]
1426534-58-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 111.4±20.0 °C at 760 mmHg
Vapour Pressure: 11.9±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.8±6.0 kJ/mol
Flash Point: 6.9±14.1 °C
Index of Refraction: 1.465
Molar Refractivity: 24.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.76
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.76
Polar Surface Area: 20 Å2
Polarizability: 9.6±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 87.8±3.0 cm3

Click to predict properties on the Chemicalize site


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