ChemSpider 2D Image | (R)-cetiedil | C20H31NO2S

(R)-cetiedil

  • Molecular FormulaC20H31NO2S
  • Average mass349.531 Da
  • Monoisotopic mass349.207550 Da
  • ChemSpider ID32797595
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-Cyclohexyl(3-thiényl)acétate de 2-(1-azépanyl)éthyle [French] [ACD/IUPAC Name]
(R)-cetiedil
183488-06-4 [RN]
2-(1-Azepanyl)ethyl (2R)-cyclohexyl(3-thienyl)acetate [ACD/IUPAC Name]
2-(1-Azepanyl)ethyl-(2R)-cyclohexyl(3-thienyl)acetat [German] [ACD/IUPAC Name]
3-Thiopheneacetic acid, α-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, (αR)- [ACD/Index Name]
(2S)-2-cyclohexyl-2-(3-thienyl)acetic acid 2-(1-azepanyl)ethyl ester
(2S)-2-cyclohexyl-2-(3-thienyl)acetic acid 2-(azepan-1-yl)ethyl ester
14176-10-4 [RN]
2-(azepan-1-yl)ethyl (2S)-2-cyclohexyl-2-(3-thienyl)acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

54MI8E0XOK [DBID]
UNII:54MI8E0XOK [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 466.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±24.6 °C
Index of Refraction: 1.540
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 22.55
ACD/KOC (pH 5.5): 56.12
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1018.41
ACD/KOC (pH 7.4): 2533.82
Polar Surface Area: 58 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

Click to predict properties on the Chemicalize site






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