ChemSpider 2D Image | (4aS,7S,7aR)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol | C10H16O2

(4aS,7S,7aR)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID28533620
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(4aS,7S,7aR)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol [German] [ACD/IUPAC Name]
(4aS,7S,7aR)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol [ACD/IUPAC Name]
(4aS,7S,7aR)-4,7-Diméthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-1-ol, 1,4a,5,6,7,7a-hexahydro-4,7-dimethyl-, (4aS,7S,7aR)- [ACD/Index Name]
(4aS,7S,7aR)-nepetalactol
cis-trans-nepetalactol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 267.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.7±6.0 kJ/mol
Flash Point: 111.5±18.5 °C
Index of Refraction: 1.501
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.68
ACD/KOC (pH 5.5): 149.81
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 149.81
Polar Surface Area: 29 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 160.0±3.0 cm3

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