ChemSpider 2D Image | 1,3-Dihydroxyadamantane | C10H16O2

1,3-Dihydroxyadamantane

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID24603885

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3s,5s,7s)-1,3-Adamantandiol [German] [ACD/IUPAC Name]
(1s,3s,5s,7s)-1,3-Adamantanediol [ACD/IUPAC Name]
(1s,3s,5s,7s)-1,3-Adamantanediol [French] [ACD/IUPAC Name]
1,3-Dihydroxyadamantane
17071-62-4 [RN]
5001-18-3 [RN]
MFCD00154013 [MDL number]
Tricyclo[3.3.1.13,7]decane-1,3-diol [ACD/Index Name]
[5001-18-3] [RN]
1,3-Adamantanedimethanol
More...

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

7013501 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 320.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.1±6.0 kJ/mol
Flash Point: 158.5±13.6 °C
Index of Refraction: 1.657
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.98
ACD/KOC (pH 5.5): 93.49
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 93.49
Polar Surface Area: 40 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 122.9±3.0 cm3

Click to predict properties on the Chemicalize site


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