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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYL METHYL KETONE

SMILES

CC(C)CCC(C)=O

InChI

InChIKey=FFWSICBKRCICMR-UHFFFAOYSA-N
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:54:04 GMT 2023
Edited
by admin
on Fri Dec 15 17:54:04 GMT 2023
Record UNII
6O4A4A5F28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTYL METHYL KETONE
Systematic Name English
3-METHYLBUTYL METHYL KETONE
Systematic Name English
2-HEXANONE, 5-METHYL-
Systematic Name English
5-METHYL-2-HEXANONE [HSDB]
Common Name English
METHYL-2-HEXANONE, 5-
Systematic Name English
5-METHYL-2-HEXANONE
HSDB  
Systematic Name English
METHYL ISOAMYL KETONE
Systematic Name English
Code System Code Type Description
PUBCHEM
8034
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY
HSDB
2885
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY
CAS
110-12-3
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID5021914
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY
FDA UNII
6O4A4A5F28
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-737-8
Created by admin on Fri Dec 15 17:54:04 GMT 2023 , Edited by admin on Fri Dec 15 17:54:04 GMT 2023
PRIMARY