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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O3
Molecular Weight 224.2961
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-cyclohexyl-3-methyl-5-oxopentene-1-oate

SMILES

COC(=O)CC(C)=CC(=O)C1CCCCC1

InChI

InChIKey=ZIHHCIJDUKNAQH-UHFFFAOYSA-N
InChI=1S/C13H20O3/c1-10(9-13(15)16-2)8-12(14)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H20O3
Molecular Weight 224.2961
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:09:11 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:11 GMT 2025
Record UNII
ZS4VG3QVA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-cyclohexyl-3-methyl-5-oxopentene-1-oate
Systematic Name English
2-Pentenoic acid, 5-cyclohexyl-3-methyl-5-oxo-, methyl ester
Preferred Name English
3-Pentenoic acid, 5-cyclohexyl-3-methyl-5-oxo-, methyl ester
Systematic Name English
Pentenoic acid, 5-cyclohexyl-3-methyl-5-oxo-, methyl ester
Systematic Name English
3-Butenoic acid, 4-(cyclohexylcarbonyl)-3-methyl-, methyl ester
Systematic Name English
Methyl 5-cyclohexyl-3-methyl-5-oxo-3-pentenoate
Systematic Name English
Methyl 5-cyclohexyl-3-methyl-5-oxo-2-pentenoate and Methyl 5-cyclohexyl-3-methyl-5-oxo-3-pentenoate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
288-103-9
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
PRIMARY
CAS
134431-10-0
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
ALTERNATIVE
EPA CompTox
DTXSID50234914
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
PRIMARY
CAS
14619-60-4
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
ALTERNATIVE
CAS
14619-59-1
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
ALTERNATIVE
FDA UNII
ZS4VG3QVA4
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
PRIMARY
CAS
85650-93-7
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
PRIMARY
PUBCHEM
141328909
Created by admin on Wed Apr 02 19:09:11 GMT 2025 , Edited by admin on Wed Apr 02 19:09:11 GMT 2025
PRIMARY