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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18
Molecular Weight 114.2285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,3-TRIMETHYLPENTANE

SMILES

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

InChI

InChIKey=OKVWYBALHQFVFP-UHFFFAOYSA-N
InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C8H18
Molecular Weight 114.2285
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
Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro.
2008 Nov 24
Thermotropic phase behavior of trialkyl cyclohexanetriamides.
2009 Oct 29
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:57:08 GMT 2023
Edited
by admin
on Fri Dec 15 17:57:08 GMT 2023
Record UNII
J62AAG7FN0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,3-TRIMETHYLPENTANE
Systematic Name English
NSC-77447
Code English
PENTANE, 2,3,3-TRIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2060333
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
CHEBI
143849
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
WIKIPEDIA
2,3,3-TRIMETHYLPENTANE
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
NSC
77447
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
PUBCHEM
11215
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-207-2
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
CAS
560-21-4
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
FDA UNII
J62AAG7FN0
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY