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Details

Stereochemistry MIXED
Molecular Formula C14H22O2
Molecular Weight 222.3233
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2-cyclopentylcyclopentyl) but-2-enoate

SMILES

C\C=C\C(=O)OC1CCCC1C2CCCC2

InChI

InChIKey=IBCFURUUOKXNFW-QHHAFSJGSA-N
InChI=1S/C14H22O2/c1-2-6-14(15)16-13-10-5-9-12(13)11-7-3-4-8-11/h2,6,11-13H,3-5,7-10H2,1H3/b6-2+

HIDE SMILES / InChI

Molecular Formula C14H22O2
Molecular Weight 222.3233
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:46:55 GMT 2025
Edited
by admin
on Tue Apr 01 16:46:55 GMT 2025
Record UNII
7KX8CN9HN8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-cyclopentylcyclopentyl) but-2-enoate
Systematic Name English
2-Butenoic acid, [1,1?-bicyclopentyl]-2-yl ester
Preferred Name English
2-Cyclopentyl-cyclopentylcrotonate
Systematic Name English
(2-cyclopentylcyclopentyl)(E)-but-2-enoate
Systematic Name English
[1,1?-Bicyclopentyl]-2-yl 2-butenoate
Systematic Name English
[1,1?-Bicyclopentyl]-2-yl (2E)-2-butenoate
Systematic Name English
Pyproprunat
Common Name English
2-Butenoic acid, [1,1?-bicyclopentyl]-2-yl ester, (2E)-
Systematic Name English
Pyroprunat
Common Name English
Code System Code Type Description
PUBCHEM
6437291
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
268-280-9
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
FDA UNII
7KX8CN9HN8
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
CAS
68039-73-6
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
2409510-82-1
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID80867451
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY