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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H38O7
Molecular Weight 366.4901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-((2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl)bis(oxymethylene))bis(2-ethylpropane-1,3-diol)

SMILES

CCC(CO)(CO)COCC(CC)(CO)COCC(CC)(CO)CO

InChI

InChIKey=AJXQSAYQHHODGY-UHFFFAOYSA-N
InChI=1S/C18H38O7/c1-4-16(7-19,8-20)12-24-14-18(6-3,11-23)15-25-13-17(5-2,9-21)10-22/h19-23H,4-15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H38O7
Molecular Weight 366.4901
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:43:56 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:56 GMT 2025
Record UNII
LEP9T7BB3M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Propanediol, 2,2?-[[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl]bis(oxymethylene)]bis[2-ethyl-
Preferred Name English
2,2'-((2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl)bis(oxymethylene))bis(2-ethylpropane-1,3-diol)
Systematic Name English
2,2?-[[2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl]bis(oxymethylene)]bis[2-ethyl-1,3-propanediol]
Systematic Name English
Code System Code Type Description
CAS
93983-17-6
Created by admin on Tue Apr 01 19:43:56 GMT 2025 , Edited by admin on Tue Apr 01 19:43:56 GMT 2025
PRIMARY
FDA UNII
LEP9T7BB3M
Created by admin on Tue Apr 01 19:43:56 GMT 2025 , Edited by admin on Tue Apr 01 19:43:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-305-4
Created by admin on Tue Apr 01 19:43:56 GMT 2025 , Edited by admin on Tue Apr 01 19:43:56 GMT 2025
PRIMARY
PUBCHEM
44152468
Created by admin on Tue Apr 01 19:43:56 GMT 2025 , Edited by admin on Tue Apr 01 19:43:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID50240171
Created by admin on Tue Apr 01 19:43:56 GMT 2025 , Edited by admin on Tue Apr 01 19:43:56 GMT 2025
PRIMARY