ChemSpider 2D Image | 4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]-1,2-benzenediol | C18H24O2

4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]-1,2-benzenediol

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID33823845

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadien-1-yl]- [ACD/Index Name]
4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1E,3S)-3,7-Diméthyl-3-vinyl-1,6-octadién-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
[178765-54-3] [RN]
178765-54-3 [RN]
3-Hydroxybakuchiol
4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]benzene-1,2-diol
CID 56833075
MFCD28100308

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

Density: 1.0±0.1 g/cm3
Boiling Point: 437.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 200.4±23.3 °C
Index of Refraction: 1.574
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6263.07
ACD/KOC (pH 5.5): 18168.47
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6210.17
ACD/KOC (pH 7.4): 18015.02
Polar Surface Area: 40 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

Click to predict properties on the Chemicalize site


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