ChemSpider 2D Image | (2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid | C14H22O4

(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID23332381

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid [ACD/IUPAC Name]
(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-(1-methylethyl)-2-cyclohexen-1-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-2-(hydroxyméthyl)-3-[(1R,6R)-3-(hydroxyméthyl)-6-isopropyl-2-cyclohexén-1-yl]acrylique [French] [ACD/IUPAC Name]
(2E)-2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoic acid
(E)-2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
82425-48-7 [RN]
Gliocladic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488443/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 247.2±25.2 °C
Index of Refraction: 1.579
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 26.18
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 212.7±3.0 cm3

Click to predict properties on the Chemicalize site


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