ChemSpider 2D Image | (2S,6R,7S,9R,11R)-1,4,4-Trimethyl-8,10-dioxatetracyclo[7.3.1.0~2,6~.0~7,11~]tridecan-11-ol | C14H22O3

(2S,6R,7S,9R,11R)-1,4,4-Trimethyl-8,10-dioxatetracyclo[7.3.1.02,6.07,11]tridecan-11-ol

  • Molecular FormulaC14H22O3
  • Average mass238.323 Da
  • Monoisotopic mass238.156891 Da
  • ChemSpider ID28596840

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,6R,7S,9R,11R)-1,4,4-Trimethyl-8,10-dioxatetracyclo[7.3.1.02,6.07,11]tridecan-11-ol [German] [ACD/IUPAC Name]
(2S,6R,7S,9R,11R)-1,4,4-Trimethyl-8,10-dioxatetracyclo[7.3.1.02,6.07,11]tridecan-11-ol [ACD/IUPAC Name]
(2S,6R,7S,9R,11R)-1,4,4-Triméthyl-8,10-dioxatétracyclo[7.3.1.02,6.07,11]tridécan-11-ol [French] [ACD/IUPAC Name]
2,5-Methano-3aH-indeno[4,5-d]-1,3-dioxol-3a-ol, octahydro-5,7,7-trimethyl-, (2R,3aR,5aS,8aR,8bS)- [ACD/Index Name]
[2S-(2α,3aβ,5α,5aα,8aα,8bβ)]- octahydro-5,7,7-trimethyl-2,5-methano-3aH-indeno[4,5-d]-1,3-dioxol-3a-ol
Sulcatine C
Sulcatine C hemiketal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 326.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 150.9±23.7 °C
Index of Refraction: 1.546
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.28
ACD/KOC (pH 5.5): 549.96
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.28
ACD/KOC (pH 7.4): 549.96
Polar Surface Area: 39 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


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