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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H20O
Molecular Weight 144.2545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYLHEPTANOL, (S)-

SMILES

CCCCC[C@H](CC)CO

InChI

InChIKey=QNJAZNNWHWYOEO-VIFPVBQESA-N
InChI=1S/C9H20O/c1-3-5-6-7-9(4-2)8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H20O
Molecular Weight 144.2545
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:01 GMT 2023
Record UNII
G7I8HX3G6G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLHEPTANOL, (S)-
Systematic Name English
1-HEPTANOL, 2-ETHYL-, (2S)-
Systematic Name English
1-HEPTANOL, 2-ETHYL-, (+)-
Systematic Name English
Code System Code Type Description
CAS
500304-23-4
Created by admin on Sat Dec 16 10:57:01 GMT 2023 , Edited by admin on Sat Dec 16 10:57:01 GMT 2023
PRIMARY
FDA UNII
G7I8HX3G6G
Created by admin on Sat Dec 16 10:57:01 GMT 2023 , Edited by admin on Sat Dec 16 10:57:01 GMT 2023
PRIMARY
PUBCHEM
91864499
Created by admin on Sat Dec 16 10:57:01 GMT 2023 , Edited by admin on Sat Dec 16 10:57:01 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER