ChemSpider 2D Image | (1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanecarboxylic acid | C13H20O2

(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanecarboxylic acid

  • Molecular FormulaC13H20O2
  • Average mass208.297 Da
  • Monoisotopic mass208.146332 Da
  • ChemSpider ID22906087

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanecarboxylic acid [ACD/IUPAC Name]
14670-94-1 [RN]
3,5-Dimethyltricyclo[3.3.1.13,7]decane-1-carboxylic acid
Acide (1r,3R,5S,7r)-3,5-diméthyl-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3,5-dimethyl-, (3R,5S)- [ACD/Index Name]
(3R,5S)-3,5-Dimethyladamantane-1-carboxylic acid
1,3-Dimethyladamantan-5-carboxylic acid
3,5-dimethyl adamantane-1-carboxylic acid
3,5-Dimethyl-adamantane-1-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00188067 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 324.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.2±6.0 kJ/mol
Flash Point: 153.9±13.7 °C
Index of Refraction: 1.567
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 93.25
ACD/KOC (pH 5.5): 561.83
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 9.26
Polar Surface Area: 37 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 176.0±3.0 cm3

Click to predict properties on the Chemicalize site


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