Found 2 results

Search term: TVFOQOGYYBMWNB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,5S,7S,10S,11R)-2,7,10-Trimethyl-10-(4-methyl-3-penten-1-yl)-6-oxatricyclo[9.1.0.0~5,7~]dodecan-2-ol | C20H34O2

(1R,2S,5S,7S,10S,11R)-2,7,10-Trimethyl-10-(4-methyl-3-penten-1-yl)-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID29213437

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,5S,7S,10S,11R)-2,7,10-Trimethyl-10-(4-methyl-3-penten-1-yl)-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol [German] [ACD/IUPAC Name]
(1R,2S,5S,7S,10S,11R)-2,7,10-Trimethyl-10-(4-methyl-3-penten-1-yl)-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol [ACD/IUPAC Name]
(1R,2S,5S,7S,10S,11R)-2,7,10-Triméthyl-10-(4-méthyl-3-pentén-1-yl)-6-oxatricyclo[9.1.0.05,7]dodécan-2-ol [French] [ACD/IUPAC Name]
6-Oxatricyclo[9.1.0.05,7]dodecan-2-ol, 2,7,10-trimethyl-10-(4-methyl-3-penten-1-yl)-, (1R,2S,5S,7S,10S,11R)- [ACD/Index Name]
pacificin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 391.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.1±6.0 kJ/mol
Flash Point: 150.5±17.4 °C
Index of Refraction: 1.500
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5361.22
ACD/KOC (pH 5.5): 16255.45
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5361.22
ACD/KOC (pH 7.4): 16255.45
Polar Surface Area: 33 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

Click to predict properties on the Chemicalize site


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