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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethyl-1-pentyn-3-ol

SMILES

CCC(O)(CC)C#C

InChI

InChIKey=PUNRPAWKFTXZIW-UHFFFAOYSA-N
InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-5588
Preferred Name English
3-Ethyl-1-pentyn-3-ol
Systematic Name English
1-Pentyn-3-ol, 3-ethyl-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
228-512-1
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY
FDA UNII
VC92AP6DZZ
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY
NSC
5588
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY
CAS
6285-06-9
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY
PUBCHEM
22698
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID30212018
Created by admin on Tue Apr 01 19:29:50 GMT 2025 , Edited by admin on Tue Apr 01 19:29:50 GMT 2025
PRIMARY