ChemSpider 2D Image | cis-isocohumulone | C20H28O5

cis-isocohumulone

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID32699658

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5S)-3,4-Dihydroxy-2-isobutyryl-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-3-pentenoyl)-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R,5S)-3,4-Dihydroxy-2-isobutyryl-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-3-pentenoyl)-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R,5S)-3,4-Dihydroxy-2-isobutyryl-5-(3-méthyl-2-butén-1-yl)-4-(4-méthyl-3-pentenoyl)-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-(2-methyl-1-oxopropyl)-, (4R,5S)- [ACD/Index Name]
68127-23-1 [RN]
cis-isocohumulone
ISOCOHUMULONE, CIS-

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

G9M5224ZBY [DBID]
UNII:G9M5224ZBY [DBID]
UNII-G9M5224ZBY [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 282.4±26.6 °C
Index of Refraction: 1.541
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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