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Details

Stereochemistry MIXED
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLOCTYNEDIOL (MIXED ISOMERS)

SMILES

CCC(C)(O)C#CC(C)(O)CC

InChI

InChIKey=NUYADIDKTLPDGG-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:47:36 GMT 2025
Edited
by admin
on Mon Mar 31 18:47:36 GMT 2025
Record UNII
EMI4DW1DPY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLOCTYNEDIOL
Preferred Name English
DIMETHYLOCTYNEDIOL (MIXED ISOMERS)
Common Name English
OCTYNEDIOL, DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9051664
Created by admin on Mon Mar 31 18:47:36 GMT 2025 , Edited by admin on Mon Mar 31 18:47:36 GMT 2025
PRIMARY
PUBCHEM
6546
Created by admin on Mon Mar 31 18:47:36 GMT 2025 , Edited by admin on Mon Mar 31 18:47:36 GMT 2025
PRIMARY
FDA UNII
EMI4DW1DPY
Created by admin on Mon Mar 31 18:47:36 GMT 2025 , Edited by admin on Mon Mar 31 18:47:36 GMT 2025
PRIMARY
CAS
1321-87-5
Created by admin on Mon Mar 31 18:47:36 GMT 2025 , Edited by admin on Mon Mar 31 18:47:36 GMT 2025
PRIMARY