ChemSpider 2D Image | 4-[(4aR,6S,10bS)-2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl]-1-butanol | C17H28O2

4-[(4aR,6S,10bS)-2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl]-1-butanol

  • Molecular FormulaC17H28O2
  • Average mass264.403 Da
  • Monoisotopic mass264.208923 Da
  • ChemSpider ID68349614
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

1H-Dibenzo[b,d]pyran-6-butanol, 2,3,4,4a,6,6a,7,8,9,10b-decahydro-, (4aR,6S,10bS)- [ACD/Index Name]
4-[(4aR,6S,10bS)-2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl]-1-butanol [German] [ACD/IUPAC Name]
4-[(4aR,6S,10bS)-2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl]-1-butanol [ACD/IUPAC Name]
4-[(4aR,6S,10bS)-2,3,4,4a,6,6a,7,8,9,10b-Décahydro-1H-benzo[c]chromén-6-yl]-1-butanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 172.2±21.0 °C
Index of Refraction: 1.528
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 879.71
ACD/KOC (pH 5.5): 4458.20
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 879.71
ACD/KOC (pH 7.4): 4458.20
Polar Surface Area: 29 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

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