U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CYCLOHEXENYLMETHYL 3-CYCLOHEXENECARBOXYLATE

SMILES

O=C(OCC1CCC=CC1)C2CCC=CC2

InChI

InChIKey=FJPFRSQDAFMEKD-UHFFFAOYSA-N
InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2

HIDE SMILES / InChI

Molecular Formula C14H20O2
Molecular Weight 220.3074
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:42:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:42:27 GMT 2023
Record UNII
E31OX8KGAL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CYCLOHEXENYLMETHYL 3-CYCLOHEXENECARBOXYLATE
Systematic Name English
3-CYCLOHEXENYLMETHYL 3'-CYCLOHEXENE-1-CARBOXYLATE
Common Name English
1,2,5,6-TETRAHYDROBENZYL 1,2,5,6-TETRAHYDROBENZOATE
Systematic Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID 3-CYCLOHEXENYLMETHYL ESTER
Systematic Name English
3-CYCLOHEXENYL 3-CYCLOHEXENE 1-CARBOXYLATE [HSDB]
Common Name English
NSC-49615
Code English
CYCLOHEX-3-ENYLMETHYL CYCLOHEX-3-ENECARBOXYLATE
Systematic Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-CYCLOHEXEN-1-YLMETHYL ESTER
Systematic Name English
DIENE 221
Brand Name English
3-CYCLOHEXEN-1-YLMETHYL 3-CYCLOHEXENECARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
17465
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
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EPA CompTox
DTXSID9027493
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
PRIMARY
CAS
2611-00-9
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
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HSDB
5887
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
PRIMARY
NSC
49615
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
PRIMARY
FDA UNII
E31OX8KGAL
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-031-5
Created by admin on Sat Dec 16 08:42:27 GMT 2023 , Edited by admin on Sat Dec 16 08:42:27 GMT 2023
PRIMARY