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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O
Molecular Weight 194.3132
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-ISOPROPYL-8-METHYLNONA-6,8-DIEN-2-ONE, (R-(E))-

SMILES

CC(C)[C@@H](CCC(C)=O)\C=C\C(C)=C

InChI

InChIKey=PQDRXUSSKFWCFA-STMXVASLSA-N
InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H22O
Molecular Weight 194.3132
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:50:57 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:57 GMT 2023
Record UNII
F5Y0JW6609
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-ISOPROPYL-8-METHYLNONA-6,8-DIEN-2-ONE, (R-(E))-
Common Name English
(R-(E))-5-ISOPROPYL-8-METHYLNONA-6,8-DIEN-2-ONE
Common Name English
6,8-NONADIEN-2-ONE, 8-METHYL-5-(1-METHYLETHYL)-, (.THETA.-(E))-
Common Name English
FEMA NO. 4331
Code English
(±)-(R-(E))-5-ISOPROPYL-8-METHYLNONA-6,8-DIEN-2-ONE [FHFI]
Common Name English
5-ISOPROPYL-8-METHYL-6,8-NONADIEN-2-ONE, (R-TRANS)-
Systematic Name English
6,8-NONADIEN-2-ONE, 5-ISOPROPYL-8-METHYL-, (R)-(E)-
Systematic Name English
6,8-NONADIEN-2-ONE, 8-METHYL-5-(1-METHYLETHYL)-, (R-(E))-
Common Name English
Code System Code Type Description
CAS
2278-53-7
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID101019772
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY
FDA UNII
F5Y0JW6609
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-907-7
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY
PUBCHEM
16058296
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
1818
Created by admin on Fri Dec 15 17:50:57 GMT 2023 , Edited by admin on Fri Dec 15 17:50:57 GMT 2023
PRIMARY