Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | (2S,3R,4S,5E,7E,9S,10R,11S)-1,12-Bis(benzyloxy)-10-[(4-methoxybenzyl)oxy]-2,4,6,7,9,11-hexamethyl-5,7-dodecadien-3-ol | C40H54O5

(2S,3R,4S,5E,7E,9S,10R,11S)-1,12-Bis(benzyloxy)-10-[(4-methoxybenzyl)oxy]-2,4,6,7,9,11-hexamethyl-5,7-dodecadien-3-ol

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID9767292

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3R,4S,5E,7E,9S,10R,11S)-1,12-Bis(benzyloxy)-10-[(4-methoxybenzyl)oxy]-2,4,6,7,9,11-hexamethyl-5,7-dodecadien-3-ol [ACD/IUPAC Name]
(2S,3R,4S,5E,7E,9S,10R,11S)-1,12-Bis(benzyloxy)-10-[(4-methoxybenzyl)oxy]-2,4,6,7,9,11-hexamethyl-5,7-dodecadien-3-ol [German] [ACD/IUPAC Name]
(2S,3R,4S,5E,7E,9S,10R,11S)-1,12-Bis(benzyloxy)-10-[(4-méthoxybenzyl)oxy]-2,4,6,7,9,11-hexaméthyl-5,7-dodécadién-3-ol [French] [ACD/IUPAC Name]
5,7-Dodecadien-3-ol, 10-[(4-methoxyphenyl)methoxy]-2,4,6,7,9,11-hexamethyl-1,12-bis(phenylmethoxy)-, (2S,3R,4S,5E,7E,9S,10R,11S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 702.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 185.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2218672.50
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2218672.50
Polar Surface Area: 57 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 587.0±3.0 cm3

Click to predict properties on the Chemicalize site


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