ChemSpider 2D Image | (1R,2R,3R,4S,5S,7S,8R,9S)-4-[(2E,4E)-5-Phenyl-2,4-pentadien-1-yl]tetracyclo[5.4.0.0~2,5~.0~3,9~]undec-10-ene-8-carboxylic acid | C23H24O2

(1R,2R,3R,4S,5S,7S,8R,9S)-4-[(2E,4E)-5-Phenyl-2,4-pentadien-1-yl]tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxylic acid

  • Molecular FormulaC23H24O2
  • Average mass332.435 Da
  • Monoisotopic mass332.177643 Da
  • ChemSpider ID32699965

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,3R,4S,5S,7S,8R,9S)-4-[(2E,4E)-5-Phenyl-2,4-pentadien-1-yl]tetracyclo[5.4.0.02,5.03,9]undec-10-en-8-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,3R,4S,5S,7S,8R,9S)-4-[(2E,4E)-5-Phenyl-2,4-pentadien-1-yl]tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxylic acid [ACD/IUPAC Name]
3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1,1a,2,3,3a,6,6a,6b-octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-, (1S,1aS,3S,3aR,6S,6aR,6bR,7R)- [ACD/Index Name]
Acide (1R,2R,3R,4S,5S,7S,8R,9S)-4-[(2E,4E)-5-phényl-2,4-pentadién-1-yl]tétracyclo[5.4.0.02,5.03,9]undéc-10-ène-8-carboxylique [French] [ACD/IUPAC Name]
Endiandric Acid C

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

J7E8Q0ROAR [DBID]
UNII:J7E8Q0ROAR [DBID]
UNII-J7E8Q0ROAR [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 235.9±18.9 °C
Index of Refraction: 1.643
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 270.25
ACD/KOC (pH 5.5): 968.64
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 15.26
Polar Surface Area: 37 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 276.8±3.0 cm3

Click to predict properties on the Chemicalize site


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