14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione

C15H26O7 — CID 23567721

IUPAC14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
SMILESO=C1CCCCC(O)CCC(=O)OCCOCCOCCO1
InChIInChI=1S/C15H26O7/c16-13-3-1-2-4-14(17)21-11-9-19-7-8-20-10-12-22-15(18)6-5-13/h13,16H,1-12H2
InChIKeyIIYCDVSWLYEROP-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.82
Rot. Bonds

About 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione

14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione (PubChem CID 23567721) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione.

Molecular Properties

Compound Name14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
PubChem CID23567721
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
SMILESO=C1CCCCC(O)CCC(=O)OCCOCCOCCO1
InChIInChI=1S/C15H26O7/c16-13-3-1-2-4-14(17)21-11-9-19-7-8-20-10-12-22-15(18)6-5-13/h13,16H,1-12H2
InChIKeyIIYCDVSWLYEROP-UHFFFAOYSA-N
XLogP0.82
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione?
The IUPAC name of 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione (CID 23567721) is 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione.
What is the SMILES notation for 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione?
The canonical SMILES for 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione is O=C1CCCCC(O)CCC(=O)OCCOCCOCCO1.
What is the InChIKey of 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione?
The InChIKey is IIYCDVSWLYEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7/c16-13-3-1-2-4-14(17)21-11-9-19-7-8-20-10-12-22-15(18)6-5-13/h13,16H,1-12H2.
What are the key properties of 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione?
14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione has a molecular weight of 318.37 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione is sourced from PubChem (CID 23567721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).