ChemSpider 2D Image | (2R)-2,7,8-Trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol | C28H48O2

(2R)-2,7,8-Trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol

  • Molecular FormulaC28H48O2
  • Average mass416.680 Da
  • Monoisotopic mass416.365417 Da
  • ChemSpider ID34990265

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2,7,8-Trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2,7,8-Trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,7,8-Triméthyl-2-[(4S,8R)-4,8,12-triméthyltridécyl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-, (2R)- [ACD/Index Name]
(2R)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
(2S)-2,7,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2S)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
1406-66-2 [RN]
231-523-4 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII-R0ZB2556P8 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 518.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 206.0±24.1 °C
Index of Refraction: 1.495
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 11.44
ACD/LogD (pH 5.5): 9.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4736093.50
ACD/LogD (pH 7.4): 9.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4735059.00
Polar Surface Area: 29 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 446.5±3.0 cm3

Click to predict properties on the Chemicalize site


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