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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYL-3-HEPTEN-2-ONE, (3E)-

SMILES

CC(C)C\C=C\C(C)=O

InChI

InChIKey=RSNMTAYSENLHOW-GQCTYLIASA-N
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
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 Fri Dec 15 18:05:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:05:18 GMT 2023
Record UNII
UCK6O61TJ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHYL-3-HEPTEN-2-ONE, (3E)-
Systematic Name English
2-METHYL-4-HEPTEN-6-ONE
Systematic Name English
3-HEPTEN-2-ONE, 6-METHYL-
Systematic Name English
3-HEPTEN-2-ONE, 6-METHYL-, (3E)-
Systematic Name English
6-METHYL-3-HEPTEN-2-ONE, TRANS-
Systematic Name English
(3E)-6-METHYLHEPT-3-EN-2-ONE
Systematic Name English
6-METHYL-3-HEPTEN-2-ONE
Systematic Name English
3-HEPTEN-2-ONE, 6-METHYL-, (E)-
Systematic Name English
Code System Code Type Description
FDA UNII
UCK6O61TJ3
Created by admin on Fri Dec 15 18:05:18 GMT 2023 , Edited by admin on Fri Dec 15 18:05:18 GMT 2023
PRIMARY
JECFA MONOGRAPH
1070
Created by admin on Fri Dec 15 18:05:18 GMT 2023 , Edited by admin on Fri Dec 15 18:05:18 GMT 2023
PRIMARY
CAS
20859-10-3
Created by admin on Fri Dec 15 18:05:18 GMT 2023 , Edited by admin on Fri Dec 15 18:05:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID60174973
Created by admin on Fri Dec 15 18:05:18 GMT 2023 , Edited by admin on Fri Dec 15 18:05:18 GMT 2023
PRIMARY
PUBCHEM
5462986
Created by admin on Fri Dec 15 18:05:19 GMT 2023 , Edited by admin on Fri Dec 15 18:05:19 GMT 2023
PRIMARY