1,4,7,13-tetraoxa-10,16-diazacyclooctadecane

C12H26N2O4 — CID 4212960

IUPAC1,4,7,13-tetraoxa-10,16-diazacyclooctadecane
SMILESC1COCCNCCOCCOCCOCCN1
InChIInChI=1S/C12H26N2O4/c1-5-15-6-2-14-4-8-17-10-12-18-11-9-16-7-3-13-1/h13-14H,1-12H2
InChIKeyPMPXWUQZYKQHAD-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.75
Rot. Bonds

About 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane

1,4,7,13-tetraoxa-10,16-diazacyclooctadecane (PubChem CID 4212960) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane.

Molecular Properties

Compound Name1,4,7,13-tetraoxa-10,16-diazacyclooctadecane
PubChem CID4212960
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name1,4,7,13-tetraoxa-10,16-diazacyclooctadecane
SMILESC1COCCNCCOCCOCCOCCN1
InChIInChI=1S/C12H26N2O4/c1-5-15-6-2-14-4-8-17-10-12-18-11-9-16-7-3-13-1/h13-14H,1-12H2
InChIKeyPMPXWUQZYKQHAD-UHFFFAOYSA-N
XLogP-0.75
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane?
The IUPAC name of 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane (CID 4212960) is 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane.
What is the SMILES notation for 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane?
The canonical SMILES for 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane is C1COCCNCCOCCOCCOCCN1.
What is the InChIKey of 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane?
The InChIKey is PMPXWUQZYKQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-5-15-6-2-14-4-8-17-10-12-18-11-9-16-7-3-13-1/h13-14H,1-12H2.
What are the key properties of 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane?
1,4,7,13-tetraoxa-10,16-diazacyclooctadecane has a molecular weight of 262.35 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,13-tetraoxa-10,16-diazacyclooctadecane is sourced from PubChem (CID 4212960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).