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

Details

Stereochemistry MIXED
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIMETHYLOCTANOIC ACID

SMILES

CCC(C)CCC(C)CC(O)=O

InChI

InChIKey=GNEWRJUMMBRLST-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-4-8(2)5-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:59 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:59 GMT 2023
Record UNII
C9U22J1UUR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-DIMETHYLOCTANOIC ACID
Systematic Name English
OCTANOIC ACID, 3,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
20954
Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023
PRIMARY
CAS
4812-29-7
Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID50964007
Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023
PRIMARY
FDA UNII
C9U22J1UUR
Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023
PRIMARY