ChemSpider 2D Image | (6S,7R)-4-Chloro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-ol | C23H29ClO6

(6S,7R)-4-Chloro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-ol

  • Molecular FormulaC23H29ClO6
  • Average mass436.926 Da
  • Monoisotopic mass436.165253 Da
  • ChemSpider ID34239996

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7R)-4-Chlor-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-ol [German] [ACD/IUPAC Name]
(6S,7R)-4-Chloro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-ol [ACD/IUPAC Name]
(6S,7R)-4-Chloro-2,3,10,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-1-ol [French] [ACD/IUPAC Name]
Dibenzo[a,c]cycloocten-1-ol, 4-chloro-5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 308.1±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9448.96
ACD/KOC (pH 5.5): 24381.22
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8811.49
ACD/KOC (pH 7.4): 22736.36
Polar Surface Area: 66 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 371.9±3.0 cm3

Click to predict properties on the Chemicalize site


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