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ChemSpider 2D Image | Retinol | C20H30O

Retinol

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID26563783

  • Double-bond stereo - Double-bond stereo

Date of deprecation: 11:55, Apr 11, 2014
Reason for deprecation: Deprecate record: only one supporting datasource for this unconventional strucuter wth 3 undefined geometries

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol [RN]
MFCD00001552 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 421.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 147.3±16.4 °C
Index of Refraction: 1.549
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 93126.40
ACD/KOC (pH 5.5): 125441.60
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 93126.40
ACD/KOC (pH 7.4): 125441.60
Polar Surface Area: 20 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

Click to predict properties on the Chemicalize site


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