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Search term: isopentenyldehydrorhodopin (Found by approved synonym)

ChemSpider 2D Image | isopentenyldehydrorhodopin | C45H62O

isopentenyldehydrorhodopin

  • Molecular FormulaC45H62O
  • Average mass618.973 Da
  • Monoisotopic mass618.480042 Da
  • ChemSpider ID58163857
  • 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

(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28,30-dotriacontatetradecaen-2-ol (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28,30-dotriacontatetradecaen-2-ol (non-preferred name) [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-Octaméthyl-3-(3-méthyl-2-butén-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28,30-dotriacontatétradécaén-2-ol (non-preferred name) [French] [ACD/IUPAC Name]
isopentenyldehydrorhodopin
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyl-3-(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-2-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 754.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 171.1±20.6 °C
Index of Refraction: 1.542
Molar Refractivity: 211.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 12.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 671.9±3.0 cm3

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