1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione

C12H20O8 — CID 102445385

IUPAC1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione
SMILESO=C1COCC(=O)OCCOCCOCOCCCO1
InChIInChI=1S/C12H20O8/c13-11-8-18-9-12(14)20-7-6-15-4-5-17-10-16-2-1-3-19-11/h1-10H2
InChIKeySQWNLUQMHMQMBH-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.50
Rot. Bonds

About 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione

1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione (PubChem CID 102445385) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione.

Molecular Properties

Compound Name1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione
PubChem CID102445385
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione
SMILESO=C1COCC(=O)OCCOCCOCOCCCO1
InChIInChI=1S/C12H20O8/c13-11-8-18-9-12(14)20-7-6-15-4-5-17-10-16-2-1-3-19-11/h1-10H2
InChIKeySQWNLUQMHMQMBH-UHFFFAOYSA-N
XLogP-0.50
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione?
The IUPAC name of 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione (CID 102445385) is 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione.
What is the SMILES notation for 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione?
The canonical SMILES for 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione is O=C1COCC(=O)OCCOCCOCOCCCO1.
What is the InChIKey of 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione?
The InChIKey is SQWNLUQMHMQMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O8/c13-11-8-18-9-12(14)20-7-6-15-4-5-17-10-16-2-1-3-19-11/h1-10H2.
What are the key properties of 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione?
1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione has a molecular weight of 292.28 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione is sourced from PubChem (CID 102445385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).