ChemSpider 2D Image | (1R,3S,4R,6R,7R,8S,10S)-8-Methoxy-10-methyl-3-(1-piperidinylmethyl)-2,9-dioxatricyclo[4.3.1.0~3,7~]decan-4-ol | C16H27NO4

(1R,3S,4R,6R,7R,8S,10S)-8-Methoxy-10-methyl-3-(1-piperidinylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

  • Molecular FormulaC16H27NO4
  • Average mass297.390 Da
  • Monoisotopic mass297.194000 Da
  • ChemSpider ID28529596

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3S,4R,6R,7R,8S,10S)-8-Methoxy-10-methyl-3-(1-piperidinylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol [German] [ACD/IUPAC Name]
(1R,3S,4R,6R,7R,8S,10S)-8-Methoxy-10-methyl-3-(1-piperidinylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol [ACD/IUPAC Name]
(1R,3S,4R,6R,7R,8S,10S)-8-Méthoxy-10-méthyl-3-(1-pipéridinylméthyl)-2,9-dioxatricyclo[4.3.1.03,7]décan-4-ol [French] [ACD/IUPAC Name]
2,5-Methanocyclopenta[d]-1,3-dioxin-7-ol, hexahydro-4-methoxy-8-methyl-7a-(1-piperidinylmethyl)-, (2R,4S,4aR,5R,7R,7aS,8S)- [ACD/Index Name]
64860-67-9 [RN]
Valperinol [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 51 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 243.7±5.0 cm3

Click to predict properties on the Chemicalize site


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