1,4,7,10-tetraoxa-13-thiacyclopentadecane

C10H20O4S — CID 12661564

IUPAC1,4,7,10-tetraoxa-13-thiacyclopentadecane
SMILESC1COCCOCCSCCOCCO1
InChIInChI=1S/C10H20O4S/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h1-10H2
InChIKeyAJNQQWKHJGIYQC-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.80
Rot. Bonds

About 1,4,7,10-tetraoxa-13-thiacyclopentadecane

1,4,7,10-tetraoxa-13-thiacyclopentadecane (PubChem CID 12661564) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13-thiacyclopentadecane.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13-thiacyclopentadecane
PubChem CID12661564
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name1,4,7,10-tetraoxa-13-thiacyclopentadecane
SMILESC1COCCOCCSCCOCCO1
InChIInChI=1S/C10H20O4S/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h1-10H2
InChIKeyAJNQQWKHJGIYQC-UHFFFAOYSA-N
XLogP0.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13-thiacyclopentadecane?
The IUPAC name of 1,4,7,10-tetraoxa-13-thiacyclopentadecane (CID 12661564) is 1,4,7,10-tetraoxa-13-thiacyclopentadecane.
What is the SMILES notation for 1,4,7,10-tetraoxa-13-thiacyclopentadecane?
The canonical SMILES for 1,4,7,10-tetraoxa-13-thiacyclopentadecane is C1COCCOCCSCCOCCO1.
What is the InChIKey of 1,4,7,10-tetraoxa-13-thiacyclopentadecane?
The InChIKey is AJNQQWKHJGIYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h1-10H2.
What are the key properties of 1,4,7,10-tetraoxa-13-thiacyclopentadecane?
1,4,7,10-tetraoxa-13-thiacyclopentadecane has a molecular weight of 236.33 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13-thiacyclopentadecane is sourced from PubChem (CID 12661564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).