ChemSpider 2D Image | (1S,2S,3S,6S,7R,8S)-Tricyclo[5.2.1.0~2,6~]decane-3,8-diyldimethanol | C12H20O2

(1S,2S,3S,6S,7R,8S)-Tricyclo[5.2.1.02,6]decane-3,8-diyldimethanol

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID34995095

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3S,6S,7R,8S)-Tricyclo[5.2.1.02,6]decan-3,8-diyldimethanol [German] [ACD/IUPAC Name]
(1S,2S,3S,6S,7R,8S)-Tricyclo[5.2.1.02,6]decane-3,8-diyldimethanol [ACD/IUPAC Name]
(1S,2S,3S,6S,7R,8S)-Tricyclo[5.2.1.02,6]décane-3,8-diyldiméthanol [French] [ACD/IUPAC Name]
4,7-Methano-1H-indene-1,5-dimethanol, octahydro-, (1S,3aS,4R,5S,7S,7aS)- [ACD/Index Name]
86282-89-5 [RN]
OCTAHYDRO-4,7-METHANO-1H-INDENE-1,5-DIMETHANOL
UNII-WQS3ZG4ZGF

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

Density: 1.1±0.1 g/cm3
Boiling Point: 349.6±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.8±6.0 kJ/mol
Flash Point: 169.3±13.6 °C
Index of Refraction: 1.532
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.77
ACD/KOC (pH 5.5): 203.34
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.77
ACD/KOC (pH 7.4): 203.34
Polar Surface Area: 40 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement