Found 7 results

Search term: VYEDTAFUFNTUOQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R,5S,6S,8S,9R,13R,14R)-13-Isopropyl-2,6-dimethyl-10-methylene-15,16-dioxatetracyclo[6.6.1.1~2,5~.0~9,14~]hexadecan-6-ol | C20H32O3

(1S,2R,5S,6S,8S,9R,13R,14R)-13-Isopropyl-2,6-dimethyl-10-methylene-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID29213487

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,5S,6S,8S,9R,13R,14R)-13-Isopropyl-2,6-dimethyl-10-methylen-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol [German] [ACD/IUPAC Name]
(1S,2R,5S,6S,8S,9R,13R,14R)-13-Isopropyl-2,6-dimethyl-10-methylene-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol [ACD/IUPAC Name]
(1S,2R,5S,6S,8S,9R,13R,14R)-13-Isopropyl-2,6-diméthyl-10-méthylène-15,16-dioxatétracyclo[6.6.1.12,5.09,14]hexadécan-6-ol [French] [ACD/IUPAC Name]
5,12:6,9-Diepoxybenzocyclodecen-10-ol, tetradecahydro-6,10-dimethyl-1-methylene-4-(1-methylethyl)-, (4R,4aR,5S,6R,9S,10S,12S,12aR)- [ACD/Index Name]
vigulariol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 427.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±6.0 kJ/mol
Flash Point: 212.5±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 797.75
ACD/KOC (pH 5.5): 4156.78
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 797.75
ACD/KOC (pH 7.4): 4156.78
Polar Surface Area: 39 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 292.3±5.0 cm3

Click to predict properties on the Chemicalize site


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