Found 13 results

Search term: VGQLNJWOULYVFV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl (1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | C11H14O4

Dimethyl (1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

  • Molecular FormulaC11H14O4
  • Average mass210.227 Da
  • Monoisotopic mass210.089203 Da
  • ChemSpider ID34990099

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ène-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (1R,2R,3R,4S)- [ACD/Index Name]
Dimethyl (1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-en-2,3-dicarboxylat [German] [ACD/IUPAC Name]
(1S,4R,5S,6S)-bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid dimethyl ester
116404-47-8 [RN]
3014-58-2 [RN]
5,6-DIMETHOXYCARBONYLNORBORNENE, ENDO,EXO-
dimethyl (1S,4R,5S,6S)-bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate

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

UNII-DZZ9QA048W [DBID]
ZINC02530736 [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: 284.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 137.5±25.7 °C
Index of Refraction: 1.509
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.45
ACD/KOC (pH 5.5): 258.36
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.45
ACD/KOC (pH 7.4): 258.36
Polar Surface Area: 53 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 173.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement