ChemSpider 2D Image | (1S,3aS)-1-[(2R)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-ol | C13H24O2

(1S,3aS)-1-[(2R)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-ol

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID29790268

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,3aS)-1-[(2R)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-ol [German] [ACD/IUPAC Name]
(1S,3aS)-1-[(2R)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-ol [ACD/IUPAC Name]
(1S,3aS)-1-[(2R)-1-Hydroxy-2-propanyl]-7a-méthyloctahydro-1H-indén-4-ol [French] [ACD/IUPAC Name]
1H-Indene-1-ethanol, octahydro-4-hydroxy-β,7a-dimethyl-, (βR,1S,3aS)- [ACD/Index Name]
(1R,3aR,4S,7aR)-1-((S)-1-Hydroxypropan-2-yl)-7a-methyloctahydro-1H-inden-4-ol
(b-S,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-b,7a-dimethyl-1H-indene-1-ethanol
64190-52-9 [RN]
Inhoffen Lythgoe diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 317.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 144.1±13.6 °C
Index of Refraction: 1.517
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.10
ACD/KOC (pH 5.5): 339.56
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.10
ACD/KOC (pH 7.4): 339.56
Polar Surface Area: 40 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


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