Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | (5Z)-4-{2-[(1R,4R)-4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]ethyl}-5-{(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyl-2,4,6,8,10,12-tri decahexaen-1-ylidene}-2(5H)-furanone | C40H54O5

(5Z)-4-{2-[(1R,4R)-4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]ethyl}-5-{(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyl-2,4,6,8,10,12-tri decahexaen-1-ylidene}-2(5H)-furanone

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID9585854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z)-4-{2-[(1R,4R)-4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]ethyl}-5-{(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyl-2,4,6,8,10,12-tri decahexaen-1-yliden}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-4-{2-[(1R,4R)-4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]ethyl}-5-{(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyl-2,4,6,8,10,12-tri decahexaen-1-ylidene}-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-4-{2-[(1R,4R)-4-Hydroxy-2,6,6-triméthyl-2-cyclohexén-1-yl]éthyl}-5-{(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-triméthyl-2,4,6,8,10,12-tri décahexaén-1-ylidène}-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[2-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]ethyl]-5-[(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyl-2,4,6, 8,10,12-tridecahexaen-1-ylidene]-, (5Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 225.4±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 303552.63
ACD/KOC (pH 5.5): 292251.59
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 303552.63
ACD/KOC (pH 7.4): 292251.59
Polar Surface Area: 79 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 549.0±3.0 cm3

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