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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8O
Molecular Weight 96.1271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-PENTOL, (E)-

SMILES

C\C(=C/CO)C#C

InChI

InChIKey=ZSJHASYJQIRSLE-GQCTYLIASA-N
InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4+

HIDE SMILES / InChI

Molecular Formula C6H8O
Molecular Weight 96.1271
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:07:46 GMT 2023
Edited
by admin
on Sat Dec 16 03:07:46 GMT 2023
Record UNII
71839QU48O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PENTOL, (E)-
Common Name English
2-PENTEN-4-YN-1-OL, 3-METHYL-, (2E)-
Systematic Name English
1''-PENTOL
Common Name English
TRANS-3-METHYL-2-PENTEN-4-YN-1-OL
Common Name English
1-PENTOL TRANS-FORM
Common Name English
2-PENTEN-4-YN-1-OL, 3-METHYL-, (E)-
Systematic Name English
(2E)-3-METHYL-2-PENTEN-4-YN-1-OL
Systematic Name English
(E)-3-METHYL-2-PENTENE-4-YN-1-OL
Systematic Name English
1-PENTOL, E-
Common Name English
3-METHYL-2-PENTEN-4-YN-1-OL, (E)-
Systematic Name English
Code System Code Type Description
FDA UNII
71839QU48O
Created by admin on Sat Dec 16 03:07:46 GMT 2023 , Edited by admin on Sat Dec 16 03:07:46 GMT 2023
PRIMARY
CAS
6153-06-6
Created by admin on Sat Dec 16 03:07:46 GMT 2023 , Edited by admin on Sat Dec 16 03:07:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-169-8
Created by admin on Sat Dec 16 03:07:46 GMT 2023 , Edited by admin on Sat Dec 16 03:07:46 GMT 2023
PRIMARY
PUBCHEM
5367604
Created by admin on Sat Dec 16 03:07:46 GMT 2023 , Edited by admin on Sat Dec 16 03:07:46 GMT 2023
PRIMARY