Found 1 result

Search term: cyclooctat-9-ene-5,7-diol (Found by synonym)
ChemSpider 2D Image | (1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-Isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diolato(2-) | C20H34O2

(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-Isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diolato(2-)

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID76963286

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-Isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-3,4-diol [German] [ACD/IUPAC Name]
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-Isopropyl-1,4,9a-triméthyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodécahydrodicyclopenta[a,d][8]annulène-3,4-diol [French] [ACD/IUPAC Name]
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-Isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diolato(2-) [ACD/IUPAC Name]
Dicyclopenta[a,d]cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1,4,9a-trimethyl-7-(1-methylethyl)-, (1R,3R,3aS,4S,6Z,7R,9aR,10aR)- [ACD/Index Name]
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-7-isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
cyclooctat-9-en-5,7-diol
cyclooctat-9-ene-5,7-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 421.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 184.6±23.3 °C
Index of Refraction: 1.533
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3400.56
ACD/KOC (pH 5.5): 11734.86
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3400.56
ACD/KOC (pH 7.4): 11734.86
Polar Surface Area: 40 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 293.7±5.0 cm3

Click to predict properties on the Chemicalize site


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