1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione

C12H22N2O6 — CID 3146923

IUPAC1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione
SMILESO=C1COCCOCCOCCOCC(=O)NCCN1
InChIInChI=1S/C12H22N2O6/c15-11-9-19-7-5-17-3-4-18-6-8-20-10-12(16)14-2-1-13-11/h1-10H2,(H,13,15)(H,14,16)
InChIKeyGGCDCUWXXWDQEP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.70
Rot. Bonds

About 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione

1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione (PubChem CID 3146923) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione
PubChem CID3146923
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione
SMILESO=C1COCCOCCOCCOCC(=O)NCCN1
InChIInChI=1S/C12H22N2O6/c15-11-9-19-7-5-17-3-4-18-6-8-20-10-12(16)14-2-1-13-11/h1-10H2,(H,13,15)(H,14,16)
InChIKeyGGCDCUWXXWDQEP-UHFFFAOYSA-N
XLogP-1.70
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione?
The IUPAC name of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione (CID 3146923) is 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione.
What is the SMILES notation for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione?
The canonical SMILES for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione is O=C1COCCOCCOCCOCC(=O)NCCN1.
What is the InChIKey of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione?
The InChIKey is GGCDCUWXXWDQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c15-11-9-19-7-5-17-3-4-18-6-8-20-10-12(16)14-2-1-13-11/h1-10H2,(H,13,15)(H,14,16).
What are the key properties of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione?
1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione has a molecular weight of 290.32 g/mol, XLogP of -1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane-12,17-dione is sourced from PubChem (CID 3146923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).