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Details

Stereochemistry RACEMIC
Molecular Formula C12H22O
Molecular Weight 182.3025
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PENTAMETHYLHEPTENONE, (3Z)-

SMILES

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

InChI

InChIKey=IXIYWQIFBRZMNR-HJWRWDBZSA-N
InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-

HIDE SMILES / InChI

Molecular Formula C12H22O
Molecular Weight 182.3025
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:17:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:17:25 GMT 2025
Record UNII
18682V2R6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAMETHYLHEPTENONE, (3Z)-
Systematic Name English
(Z)-WOODY AMYLENE
Preferred Name English
3-HEPTEN-2-ONE, 3,4,5,6,6-PENTAMETHYL-, (3Z)-
Systematic Name English
(Z)-3,4,5,6,6-PENTAMETHYLHEPT-3-EN-2-ONE
Systematic Name English
3-HEPTEN-2-ONE, 3,4,5,6,6-PENTAMETHYL-, (Z)-
Systematic Name English
CIS-3-PENTAMETHYL HEPTEN-2-ONE
Common Name English
Code System Code Type Description
FDA UNII
18682V2R6J
Created by admin on Mon Mar 31 18:17:25 GMT 2025 , Edited by admin on Mon Mar 31 18:17:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID8052562
Created by admin on Mon Mar 31 18:17:25 GMT 2025 , Edited by admin on Mon Mar 31 18:17:25 GMT 2025
PRIMARY
CAS
81786-73-4
Created by admin on Mon Mar 31 18:17:25 GMT 2025 , Edited by admin on Mon Mar 31 18:17:25 GMT 2025
PRIMARY
PUBCHEM
20836197
Created by admin on Mon Mar 31 18:17:25 GMT 2025 , Edited by admin on Mon Mar 31 18:17:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
279-822-9
Created by admin on Mon Mar 31 18:17:25 GMT 2025 , Edited by admin on Mon Mar 31 18:17:25 GMT 2025
PRIMARY