ChemSpider 2D Image | (5Z)-7-{(1S,2S,3S,4R)-3-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid | C22H34O4

(5Z)-7-{(1S,2S,3S,4R)-3-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid

  • Molecular FormulaC22H34O4
  • Average mass362.503 Da
  • Monoisotopic mass362.245697 Da
  • ChemSpider ID34980954
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5Z)-7-{(1S,2S,3S,4R)-3-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1S,2S,3S,4R)-3-[(1E,3S)-3-Cyclohexyl-3-hydroxy-1-propen-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxy-1-propén-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxyprop-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
85923-25-7 [RN]
SQ 27986|SQ27986
SQ27986

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

SQ-27986 [DBID]
SQ 27986 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 546.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 186.3±18.1 °C
Index of Refraction: 1.569
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 98.82
ACD/KOC (pH 5.5): 547.52
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 8.75
Polar Surface Area: 67 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site






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