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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H15Cl
Molecular Weight 134.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXANE, 1-CHLORO-5-METHYL-

SMILES

CC(C)CCCCCl

InChI

InChIKey=YESHSLGUAPTMLI-UHFFFAOYSA-N
InChI=1S/C7H15Cl/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H15Cl
Molecular Weight 134.647
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:51:11 GMT 2025
Edited
by admin
on Mon Mar 31 19:51:11 GMT 2025
Record UNII
AWZ0L968XA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANE, 1-CHLORO-5-METHYL-
Systematic Name English
1-CHLORO-5-METHYLHEXANE
Preferred Name English
Code System Code Type Description
FDA UNII
AWZ0L968XA
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
PUBCHEM
118419
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
CAS
33240-56-1
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID6067757
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY