ChemSpider 2D Image | (1'R,5'R)-5-Methylspiro[1,3-dioxane-2,2'-tricyclo[3.3.1.1~3,7~]decane]-5-carboxylic acid | C15H22O4

(1'R,5'R)-5-Methylspiro[1,3-dioxane-2,2'-tricyclo[3.3.1.13,7]decane]-5-carboxylic acid

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID81424094

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1'R,5'R)-5-Methylspiro[1,3-dioxane-2,2'-tricyclo[3.3.1.13,7]decane]-5-carboxylic acid [ACD/IUPAC Name]
Spiro[1,3-dioxane-2,2'-tricyclo[3.3.1.13,7]decane]-5-carboxylic acid, 5-methyl-, (1'R,5'R)- [ACD/Index Name]
5-MEthylspiro[1,3-dioxane-2,2'-tricyclo[3.3.1.1(3,7)]decane]-5-carboxylic acid
932924-40-8 [RN]
MFCD09763753 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 156.1±20.8 °C
Index of Refraction: 1.562
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 16.14
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 211.0±5.0 cm3

Click to predict properties on the Chemicalize site


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