ChemSpider 2D Image | (4S,5S,5aS,9aS)-4-Chloro-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate | C17H23ClO4

(4S,5S,5aS,9aS)-4-Chloro-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate

  • Molecular FormulaC17H23ClO4
  • Average mass326.815 Da
  • Monoisotopic mass326.128479 Da
  • ChemSpider ID23314417

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5S,5aS,9aS)-4-Chlor-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl-acetat [German] [ACD/IUPAC Name]
(4S,5S,5aS,9aS)-4-Chloro-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate [ACD/IUPAC Name]
Acétate de (4S,5S,5aS,9aS)-4-chloro-6,6,9a-triméthyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 5-(acetyloxy)-4-chloro-4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (4S,5S,5aS,9aS)- [ACD/Index Name]
7α-Chloro-,dihydrocinnamosmolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 171.8±27.7 °C
Index of Refraction: 1.534
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.40
ACD/KOC (pH 5.5): 2400.28
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.40
ACD/KOC (pH 7.4): 2400.28
Polar Surface Area: 53 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

Click to predict properties on the Chemicalize site


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