ChemSpider 2D Image | (1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid | C16H28O2

(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid

  • Molecular FormulaC16H28O2
  • Average mass252.392 Da
  • Monoisotopic mass252.208923 Da
  • ChemSpider ID18542870
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carbonsäure [German] [ACD/IUPAC Name]
(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl- [ACD/Index Name]
65355-32-0 [RN]
Acide (1r,1's,4r,4'S)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylique [French] [ACD/IUPAC Name]
(Trans,Trans)-4-Propyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid
[1 1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID 4'-PROPYL- (TRANS TRANS)-
4-(4-propylcyclohexyl)cyclohexanecarboxylic acid
MFCD05864407 [MDL number]
trans-4-(trans-4-n-Propylcyclohexyl)cyclohexanecarboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 370.9±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.9±6.0 kJ/mol
Flash Point: 178.8±13.7 °C
Index of Refraction: 1.493
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1388.38
ACD/KOC (pH 5.5): 3915.91
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 23.01
ACD/KOC (pH 7.4): 64.89
Polar Surface Area: 37 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

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