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Details

Stereochemistry RACEMIC
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-DIMETHYL-1,3-BUTANEDIOL

SMILES

CC(O)C(C)(C)CO

InChI

InChIKey=QXKKYNIWAYERHT-UHFFFAOYSA-N
InChI=1S/C6H14O2/c1-5(8)6(2,3)4-7/h5,7-8H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H14O2
Molecular Weight 118.1742
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 Mon Mar 31 18:24:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:24:25 GMT 2025
Record UNII
JF05669963
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-DIMETHYL-1,3-BUTANEDIOL
Systematic Name English
NSC-35407
Preferred Name English
1,3-BUTANEDIOL, 2,2-DIMETHYL-
Systematic Name English
2,2,3-TRIMETHYL-1,3-PROPANEDIOL
Systematic Name English
Code System Code Type Description
CAS
76-35-7
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
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EPA CompTox
DTXSID10870397
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
NSC
35407
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
PUBCHEM
6440
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
FDA UNII
JF05669963
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY