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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H20
Molecular Weight 128.2551
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,5-TRIMETHYLHEXANE

SMILES

CC(C)CCC(C)(C)C

InChI

InChIKey=HHOSMYBYIHNXNO-UHFFFAOYSA-N
InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C9H20
Molecular Weight 128.2551
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Multivariate study of different beef quality traits from local Spanish cattle breeds.
2008 Mar
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:08:24 GMT 2023
Edited
by admin
on Fri Dec 15 18:08:24 GMT 2023
Record UNII
AGW1Z6985E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,5-TRIMETHYLHEXANE
Systematic Name English
HEXANE, 2,2,5-TRIMETHYL-
Systematic Name English
NSC-65657
Code English
Code System Code Type Description
EPA CompTox
DTXSID0073326
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
DAILYMED
AGW1Z6985E
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
CAS
3522-94-9
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
RXCUI
2557376
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
PUBCHEM
19041
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-537-1
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
FDA UNII
AGW1Z6985E
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY
NSC
65657
Created by admin on Fri Dec 15 18:08:24 GMT 2023 , Edited by admin on Fri Dec 15 18:08:24 GMT 2023
PRIMARY