ChemSpider 2D Image | 6-Chloro-8,10-dihydroxy-2-isopropylidene-4-methyl-4-(4-methyl-3-penten-1-yl)-2,3,3a,4-tetrahydro-1H,7H-cyclopenta[c]naphtho[2,1-b]furan-7-one | C25H29ClO4

6-Chloro-8,10-dihydroxy-2-isopropylidene-4-methyl-4-(4-methyl-3-penten-1-yl)-2,3,3a,4-tetrahydro-1H,7H-cyclopenta[c]naphtho[2,1-b]furan-7-one

  • Molecular FormulaC25H29ClO4
  • Average mass428.948 Da
  • Monoisotopic mass428.175446 Da
  • ChemSpider ID78444589

More details:

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

1H,7H-Cyclopenta[c]naphtho[2,1-b]furan-7-one, 6-chloro-2,3,3a,4-tetrahydro-8,10-dihydroxy-4-methyl-2-(1-methylethylidene)-4-(4-methyl-3-penten-1-yl)- [ACD/Index Name]
6-Chlor-8,10-dihydroxy-2-isopropyliden-4-methyl-4-(4-methyl-3-penten-1-yl)-2,3,3a,4-tetrahydro-1H,7H-cyclopenta[c]naphtho[2,1-b]furan-7-on [German] [ACD/IUPAC Name]
6-Chloro-8,10-dihydroxy-2-isopropylidene-4-methyl-4-(4-methyl-3-penten-1-yl)-2,3,3a,4-tetrahydro-1H,7H-cyclopenta[c]naphtho[2,1-b]furan-7-one [ACD/IUPAC Name]
6-Chloro-8,10-dihydroxy-2-isopropylidène-4-méthyl-4-(4-méthyl-3-pentén-1-yl)-2,3,3a,4-tétrahydro-1H,7H-cyclopenta[c]naphto[2,1-b]furan-7-one [French] [ACD/IUPAC Name]
merochlorin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 84443.48
ACD/KOC (pH 5.5): 113438.24
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 7772.11
ACD/KOC (pH 7.4): 10440.77
Polar Surface Area: 67 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 332.2±5.0 cm3

Click to predict properties on the Chemicalize site


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