2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane

C18H32O4 — CID 23848053

IUPAC2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
SMILESC1COC2CCCCC2OCCCOC2CCCCC2OC1
InChIInChI=1S/C18H32O4/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20-16/h15-18H,1-14H2
InChIKeyZIRKTSHZDULVHZ-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.47
Rot. Bonds

About 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane

2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane (PubChem CID 23848053) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane.

Molecular Properties

Compound Name2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
PubChem CID23848053
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
SMILESC1COC2CCCCC2OCCCOC2CCCCC2OC1
InChIInChI=1S/C18H32O4/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20-16/h15-18H,1-14H2
InChIKeyZIRKTSHZDULVHZ-UHFFFAOYSA-N
XLogP3.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane?
The IUPAC name of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane (CID 23848053) is 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane.
What is the SMILES notation for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane?
The canonical SMILES for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane is C1COC2CCCCC2OCCCOC2CCCCC2OC1.
What is the InChIKey of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane?
The InChIKey is ZIRKTSHZDULVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20-16/h15-18H,1-14H2.
What are the key properties of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane?
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane has a molecular weight of 312.45 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane is sourced from PubChem (CID 23848053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).