Found 1 result

Search term: 78440989 (Found by CSID)
ChemSpider 2D Image | (1S)-1-[(1R,4R,5R,8S)-7-(Hydroxymethyl)-4-isopropyl-1-methylbicyclo[3.2.1]oct-6-en-8-yl]-1,2-ethanediol | C15H26O3

(1S)-1-[(1R,4R,5R,8S)-7-(Hydroxymethyl)-4-isopropyl-1-methylbicyclo[3.2.1]oct-6-en-8-yl]-1,2-ethanediol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78440989

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1-[(1R,4R,5R,8S)-7-(Hydroxymethyl)-4-isopropyl-1-methylbicyclo[3.2.1]oct-6-en-8-yl]-1,2-ethandiol [German] [ACD/IUPAC Name]
(1S)-1-[(1R,4R,5R,8S)-7-(Hydroxymethyl)-4-isopropyl-1-methylbicyclo[3.2.1]oct-6-en-8-yl]-1,2-ethanediol [ACD/IUPAC Name]
(1S)-1-[(1R,4R,5R,8S)-7-(Hydroxyméthyl)-4-isopropyl-1-méthylbicyclo[3.2.1]oct-6-én-8-yl]-1,2-éthanediol [French] [ACD/IUPAC Name]
Bicyclo[3.2.1]oct-6-ene-6,8-dimethanol, α8-(hydroxymethyl)-5-methyl-2-(1-methylethyl)-, (α8S,1R,2R,5R,8S)- [ACD/Index Name]
Bipolenin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 182.1±18.3 °C
Index of Refraction: 1.534
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.70
ACD/KOC (pH 5.5): 345.59
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.70
ACD/KOC (pH 7.4): 345.59
Polar Surface Area: 61 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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