ChemSpider 2D Image | (2R,3R,5R)-2,6,6,9-Tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) | C25H34O5

(2R,3R,5R)-2,6,6,9-Tetramethyl-11-oxotricyclo[5.4.0.02,8]undec-9-ene-3,5-diyl (2Z,2'Z)bis(2-methyl-2-butenoate)

  • Molecular FormulaC25H34O5
  • Average mass414.534 Da
  • Monoisotopic mass414.240631 Da
  • ChemSpider ID22913752

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(2R,3R,5R)-2,6,6,9-Tetramethyl-11-oxotricyclo[5.4.0.02,8]undec-9-en-3,5-diyl-(2Z,2'Z)bis(2-methyl-2-butenoat) [German] [ACD/IUPAC Name]
(2R,3R,5R)-2,6,6,9-Tetramethyl-11-oxotricyclo[5.4.0.02,8]undec-9-ene-3,5-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) [ACD/IUPAC Name]
(2Z,2'Z)Bis(2-méthyl-2-buténoate) de (2R,3R,5R)-2,6,6,9-tétraméthyl-11-oxotricyclo[5.4.0.02,8]undéc-9-ène-3,5-diyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.02,8]undec-9-ene-3,5-diyl ester, (2Z,2'Z)- [ACD/Index Name]
[(4R,6R,7R)-3,3,7,9-tetramethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
8,10-Dihydroxy-3-longipinen-5-one, diangeloyl
NCGC00385486-01C25H34O52-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.02,8]undec-9-ene-3,5-diyl ester, (2Z,2'Z)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 210.7±28.8 °C
Index of Refraction: 1.534
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15570.37
ACD/KOC (pH 5.5): 34868.65
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15570.37
ACD/KOC (pH 7.4): 34868.65
Polar Surface Area: 70 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 368.3±5.0 cm3

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