ChemSpider 2D Image | (2E)-3-[(2S,2aR,4aR,5R,7bS)-2-[(2E)-2-Buten-2-yl]-7-(chloromethyl)-2a,4,5,7b-tetramethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl]acrylic acid | C22H29ClO3

(2E)-3-[(2S,2aR,4aR,5R,7bS)-2-[(2E)-2-Buten-2-yl]-7-(chloromethyl)-2a,4,5,7b-tetramethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl]acrylic acid

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID74175347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E)-3-[(2S,2aR,4aR,5R,7bS)-2-[(2E)-2-Buten-2-yl]-7-(chlormethyl)-2a,4,5,7b-tetramethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl]acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[(2S,2aR,4aR,5R,7bS)-2-[(2E)-2-Buten-2-yl]-7-(chloromethyl)-2a,4,5,7b-tetramethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl]acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2S,2aR,4aR,5R,7bS)-7-(chloromethyl)-2,2a,4a,5,7a,7b-hexahydro-2a,4,5,7b-tetramethyl-2-[(1E)-1-methyl-1-propen-1-yl]indeno[7,1-bc]furan-5-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[(2S,2aR,4aR,5R,7bS)-2-[(2E)-2-butén-2-yl]-7-(chlorométhyl)-2a,4,5,7b-tétraméthyl-2,2a,4a,5,7a,7b-hexahydroindéno[7,1-bc]furan-5-yl]acrylique [French] [ACD/IUPAC 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: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 241.9±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 1292.01
ACD/KOC (pH 5.5): 2907.85
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 20.42
ACD/KOC (pH 7.4): 45.97
Polar Surface Area: 47 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 322.2±3.0 cm3

Click to predict properties on the Chemicalize site


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