Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester

Details:

 1. Introduction of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester

 

The Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester, with its CAS NO 369648-89-5, is a kind of colorless liquid. It has synonyms of 1-Methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate and 5-Norbornene-2-carboxylic 1'-methylcyclopentyl ester. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester should be stored in shady and cool warehouse.
 

2. Properties of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester

 

(1) XLogP3-AA 2.9  (2) H-Bond Acceptor 2  (3) Rotatable Bond Count 3
(4) Exact Mass 220.14633  (5) MonoIsotopic Mass 220.14633 (6) Topological Polar Surface Area 26.3
(7) Heavy Atom Count 16  (8) Complexity 326  (9) Undefined Atom Stereocenter Count 3
(10) Covalently-Bonded Unit Count 1  (11) Feature 3D Acceptor Count 1 (12) Feature 3D Ring Count 2
(13) Effective Rotor Count 4.6  (14) Conformer Sampling RMSD 0.6  (15) CID Conformer Count 197
 

3. Structure descriptors of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester

 

IUPAC Name: (1-methylcyclopentyl) bicyclo[2.2.1]hept-2-ene-5-carboxylate

InChI: InChI=1S/C14H20O2/c1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10/h4-5,
10-12H,2-3,6-9H2,1H3

InChIKey: KRJJDXSTPKETCM-UHFFFAOYSA-N

Canonical SMILES : CC1(CCCC1)OC(=O)C2CC3CC2C=C3