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

Details

Stereochemistry MIXED
Molecular Formula C24H36O2
Molecular Weight 356.5414
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL-2-METHYL-3-ETHYL-4-PHENYL-4-CYCLOHEXENE CARBOXYLATE

SMILES

CCCCCCCCOC(=O)C1CC=C(C(CC)C1C)C2=CC=CC=C2

InChI

InChIKey=WDMMUDLOXMIMCJ-UHFFFAOYSA-N
InChI=1S/C24H36O2/c1-4-6-7-8-9-13-18-26-24(25)22-16-17-23(21(5-2)19(22)3)20-14-11-10-12-15-20/h10-12,14-15,17,19,21-22H,4-9,13,16,18H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C24H36O2
Molecular Weight 356.5414
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:20 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:20 GMT 2023
Record UNII
N0971D117Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL-2-METHYL-3-ETHYL-4-PHENYL-4-CYCLOHEXENE CARBOXYLATE
Systematic Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 5-ETHYL-6-METHYL-4-PHENYL-, OCTYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
71397326
Created by admin on Fri Dec 15 15:47:20 GMT 2023 , Edited by admin on Fri Dec 15 15:47:20 GMT 2023
PRIMARY
FDA UNII
N0971D117Q
Created by admin on Fri Dec 15 15:47:20 GMT 2023 , Edited by admin on Fri Dec 15 15:47:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID90818833
Created by admin on Fri Dec 15 15:47:20 GMT 2023 , Edited by admin on Fri Dec 15 15:47:20 GMT 2023
PRIMARY
CAS
61295-80-5
Created by admin on Fri Dec 15 15:47:20 GMT 2023 , Edited by admin on Fri Dec 15 15:47:20 GMT 2023
PRIMARY