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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H17ClO
Molecular Weight 176.684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIMETHYL-2-ISOPROPYLBUTYRYL CHLORIDE

SMILES

CC(C)C(C)(C(C)C)C(Cl)=O

InChI

InChIKey=WMEBPQLEDFWBRX-UHFFFAOYSA-N
InChI=1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3

HIDE SMILES / InChI

Molecular Formula C9H17ClO
Molecular Weight 176.684
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:28:56 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:56 GMT 2023
Record UNII
4U3MGR53CE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIMETHYL-2-ISOPROPYLBUTYRYL CHLORIDE
Systematic Name English
BUTANOYL CHLORIDE, 2,3-DIMETHYL-2-(1-METHYLETHYL)-
Systematic Name English
2,3-DIMETHYL-2-PROPAN-2-YLBUTANOYL CHLORIDE
Systematic Name English
2,3-DIMETHYL-2-(1-METHYLETHYL)BUTANOYL CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30199133
Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-988-0
Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023
PRIMARY
FDA UNII
4U3MGR53CE
Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023
PRIMARY
PUBCHEM
3016607
Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023
PRIMARY
CAS
51115-81-2
Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023
PRIMARY