ChemSpider 2D Image | (3R,6R)-6-Hydroxy-3-isopropenylheptanoate | C10H17O3

(3R,6R)-6-Hydroxy-3-isopropenylheptanoate

  • Molecular FormulaC10H17O3
  • Average mass185.241 Da
  • Monoisotopic mass185.118317 Da
  • ChemSpider ID27471412

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6R)-6-Hydroxy-3-isopropenylheptanoat [German] [ACD/IUPAC Name]
(3R,6R)-6-Hydroxy-3-isopropenylheptanoate [ACD/IUPAC Name]
(3R,6R)-6-Hydroxy-3-isopropénylheptanoate [French] [ACD/IUPAC Name]
Heptanoic acid, 6-hydroxy-3-(1-methylethenyl)-, ion(1-), (3R,6R)- [ACD/Index Name]
(3R,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate
(3R,6R)-6-hydroxy-3-isopropenylheptanoate(1-)

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

CHEBI:64225 [DBID]
  • Miscellaneous

    • Chemical Class:

      An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4R,7R)-4-i; sopropenyl-7-methyloxepan-2-one. ChEBI CHEBI:64225
      An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4R,7R)-4-isopropenyl-7-methyloxepan-2-one. ChEBI CHEBI:64225

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

Density:
Boiling Point: 326.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 165.3±22.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.19
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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