1,4,7,11,14,17-hexaoxacycloicosane

C14H28O6 — CID 13165045

IUPAC1,4,7,11,14,17-hexaoxacycloicosane
SMILESC1COCCOCCOCCCOCCOCCOC1
InChIInChI=1S/C14H28O6/c1-3-15-7-11-19-13-9-17-5-2-6-18-10-14-20-12-8-16-4-1/h1-14H2
InChIKeyVKNYJOBONVRAII-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.88
Rot. Bonds

About 1,4,7,11,14,17-hexaoxacycloicosane

1,4,7,11,14,17-hexaoxacycloicosane (PubChem CID 13165045) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 1,4,7,11,14,17-hexaoxacycloicosane.

Molecular Properties

Compound Name1,4,7,11,14,17-hexaoxacycloicosane
PubChem CID13165045
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name1,4,7,11,14,17-hexaoxacycloicosane
SMILESC1COCCOCCOCCCOCCOCCOC1
InChIInChI=1S/C14H28O6/c1-3-15-7-11-19-13-9-17-5-2-6-18-10-14-20-12-8-16-4-1/h1-14H2
InChIKeyVKNYJOBONVRAII-UHFFFAOYSA-N
XLogP0.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,11,14,17-hexaoxacycloicosane?
The IUPAC name of 1,4,7,11,14,17-hexaoxacycloicosane (CID 13165045) is 1,4,7,11,14,17-hexaoxacycloicosane.
What is the SMILES notation for 1,4,7,11,14,17-hexaoxacycloicosane?
The canonical SMILES for 1,4,7,11,14,17-hexaoxacycloicosane is C1COCCOCCOCCCOCCOCCOC1.
What is the InChIKey of 1,4,7,11,14,17-hexaoxacycloicosane?
The InChIKey is VKNYJOBONVRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-3-15-7-11-19-13-9-17-5-2-6-18-10-14-20-12-8-16-4-1/h1-14H2.
What are the key properties of 1,4,7,11,14,17-hexaoxacycloicosane?
1,4,7,11,14,17-hexaoxacycloicosane has a molecular weight of 292.37 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,11,14,17-hexaoxacycloicosane is sourced from PubChem (CID 13165045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).