Found 63 results

Search term: MF = 'C_{34}H_{49}NO_{5}'
ChemSpider 2D Image | 4-[(4E)-4-{(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-1-[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]butyl 2-methylpropanoate (non-preferred nam e) | C34H49NO5

4-[(4E)-4-{(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-1-[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]butyl 2-methylpropanoate (non-preferred nam e)

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID8341699

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 6 defined stereocentres

More details:

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

2-Méthylpropanoate de 4-[(4E)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-méthylènecyclohexylidène]éthylidène}-7a-méthyloctahydro-1H-indén-1-yl]-1-[1-(5-méthyl-1,3-oxazol-2-yl)cyclopropyl]butyle (non-preferred name) [French] [ACD/IUPAC Name]
4-[(4E)-4-{(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylencyclohexyliden]ethyliden}-7a-methyloctahydro-1H-inden-1-yl]-1-[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]butyl-2-methylpropanoat [German] [ACD/IUPAC Name]
4-[(4E)-4-{(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-1-[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]butyl 2-methylpropanoate (non-preferred nam e) [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 4-[(4E)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-[1-(5-methyl-2-oxazolyl)cyclopropyl]butyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48422.71
ACD/KOC (pH 5.5): 78512.52
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48500.77
ACD/KOC (pH 7.4): 78639.09
Polar Surface Area: 93 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 476.9±5.0 cm3

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