1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol

C14H28O6S2 — CID 138964811

IUPAC1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol
SMILESOC1COCCOCCOCC(O)CSCCOCCSC1
InChIInChI=1S/C14H28O6S2/c15-13-9-19-3-1-17-2-4-20-10-14(16)12-22-8-6-18-5-7-21-11-13/h13-16H,1-12H2
InChIKeyJIQYIDBUVQQQOY-UHFFFAOYSA-N
MW356.51 g/mol
LogP0.25
Rot. Bonds

About 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol

1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol (PubChem CID 138964811) has the molecular formula C14H28O6S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol.

Molecular Properties

Compound Name1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol
PubChem CID138964811
Molecular FormulaC14H28O6S2
Molecular Weight356.51 g/mol
Exact Mass356.13
IUPAC Name1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol
SMILESOC1COCCOCCOCC(O)CSCCOCCSC1
InChIInChI=1S/C14H28O6S2/c15-13-9-19-3-1-17-2-4-20-10-14(16)12-22-8-6-18-5-7-21-11-13/h13-16H,1-12H2
InChIKeyJIQYIDBUVQQQOY-UHFFFAOYSA-N
XLogP0.25
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(Butylsulfinyl)-3-ethoxy-2-propanol
CID 2842988
2,2'-{Sulfanediylbis[(ethane-2,1-diyl)oxy]}di(ethan-1-ol)
CID 335555
9-(2-Hydroxy-3-((2-hydroxyethyl)thio)propoxy)-7,11-dioxa-3,15-dithiaheptadecane-1,5,13,17-tetrol
CID 108508
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
4,7,10,13,16-Pentaoxa-19-thiaeicosan-2-ol, 5,8,11,14,17-pentamethyl-
CID 5748727
4,7,10,13,16,19-Hexaoxa-22-thiatricosan-2-ol, 5,8,11,14,17,20-hexamethyl-
CID 5748729
2-Propanol, 1-(1-methyl-2-(methylthio)ethoxy)-
CID 5748730
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287
5,8,11-Trimethyl-4,7,10-trioxa-13-thiatetradecan-2-ol
CID 20834289
5,8,11,14-Tetramethyl-4,7,10,13-tetraoxa-16-thiaheptadecan-2-ol
CID 20834291
2-Propanol, 1-[1-methyl-2-(methylthio)ethoxy]-
CID 20834293
1-((2-Hydroxyethyl)thio)-3-(3-((2-hydroxyethyl)thio)propoxy)propan-2-ol
CID 3019035

Frequently Asked Questions

What is the IUPAC name of 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol?
The IUPAC name of 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol (CID 138964811) is 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol.
What is the SMILES notation for 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol?
The canonical SMILES for 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol is OC1COCCOCCOCC(O)CSCCOCCSC1.
What is the InChIKey of 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol?
The InChIKey is JIQYIDBUVQQQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6S2/c15-13-9-19-3-1-17-2-4-20-10-14(16)12-22-8-6-18-5-7-21-11-13/h13-16H,1-12H2.
What are the key properties of 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol?
1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol has a molecular weight of 356.51 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,14-tetraoxa-11,17-dithiacycloicosane-9,19-diol is sourced from PubChem (CID 138964811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).