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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=SPXWGAHNKXLXAP-NTSWFWBYSA-N
InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3/t5-,6+/m0/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 Tue Apr 01 17:03:49 GMT 2025
Edited
by admin
on Tue Apr 01 17:03:49 GMT 2025
Record UNII
JDW63OBT6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3R)-2-METHYL-1,3-PENTANEDIOL
Preferred Name English
2-METHYL-1,3-PENTANEDIOL, (2S,3R)-
Systematic Name English
2-METHYL-1,3-PENTANEDIOL, (S,R)-(+)-
Systematic Name English
1,3-PENTANEDIOL, 2-METHYL-, (R-(R*,S*))-
Systematic Name English
(2S,3R)-2-METHYLPENTANE-1,3-DIOL
Systematic Name English
1,3-PENTANEDIOL, 2-METHYL-, (2S,3R)-
Systematic Name English
2-METHYL-1,3-PENTANEDIOL, (S,R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12538465
Created by admin on Tue Apr 01 17:03:49 GMT 2025 , Edited by admin on Tue Apr 01 17:03:49 GMT 2025
PRIMARY
CAS
94339-79-4
Created by admin on Tue Apr 01 17:03:49 GMT 2025 , Edited by admin on Tue Apr 01 17:03:49 GMT 2025
PRIMARY
FDA UNII
JDW63OBT6Z
Created by admin on Tue Apr 01 17:03:49 GMT 2025 , Edited by admin on Tue Apr 01 17:03:49 GMT 2025
PRIMARY
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