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

Details

Stereochemistry RACEMIC
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HEPTYN-3-OL, (±)-

SMILES

CCCCC(O)C#C

InChI

InChIKey=SHSFXAVQBIEYMK-UHFFFAOYSA-N
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H12O
Molecular Weight 112.1696
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:14 GMT 2023
Record UNII
49MA683SO6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HEPTYN-3-OL, (±)-
Systematic Name English
3-HYDROXY-1-HEPTYNE
Systematic Name English
1-HEPTYN-3-OL
Systematic Name English
BUTYLETHYNYLCARBINOL
Systematic Name English
Code System Code Type Description
FDA UNII
49MA683SO6
Created by admin on Sat Dec 16 08:39:14 GMT 2023 , Edited by admin on Sat Dec 16 08:39:14 GMT 2023
PRIMARY
PUBCHEM
93050
Created by admin on Sat Dec 16 08:39:14 GMT 2023 , Edited by admin on Sat Dec 16 08:39:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID2022250
Created by admin on Sat Dec 16 08:39:14 GMT 2023 , Edited by admin on Sat Dec 16 08:39:14 GMT 2023
PRIMARY
CAS
7383-19-9
Created by admin on Sat Dec 16 08:39:14 GMT 2023 , Edited by admin on Sat Dec 16 08:39:14 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE