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Details

Stereochemistry RACEMIC
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-1,3-PENTANEDIOL, (R,S)-(±)-

SMILES

CC[C@H](O)[C@H](C)CO

InChI

InChIKey=SPXWGAHNKXLXAP-RITPCOANSA-N
InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3/t5-,6+/m1/s1

HIDE SMILES / InChI

Molecular Formula C6H14O2
Molecular Weight 118.1742
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:12 GMT 2023
Edited
by admin
on Sat Dec 16 11:49:12 GMT 2023
Record UNII
489NK7IHFD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-1,3-PENTANEDIOL, (R,S)-(±)-
Systematic Name English
1,3-PENTANEDIOL, 2-METHYL-, (2R,3S)-REL-
Systematic Name English
2-METHYL-1,3-PENTANEDIOL, (R*,S*)-
Systematic Name English
1,3-PENTANEDIOL, 2-METHYL-, (R*,S*)-
Systematic Name English
Code System Code Type Description
CAS
121054-26-0
Created by admin on Sat Dec 16 11:49:12 GMT 2023 , Edited by admin on Sat Dec 16 11:49:12 GMT 2023
PRIMARY
FDA UNII
489NK7IHFD
Created by admin on Sat Dec 16 11:49:12 GMT 2023 , Edited by admin on Sat Dec 16 11:49:12 GMT 2023
PRIMARY
PUBCHEM
10877093
Created by admin on Sat Dec 16 11:49:12 GMT 2023 , Edited by admin on Sat Dec 16 11:49:12 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE