4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane

C16H32N2O6 — CID 58981463

IUPAC4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
SMILESC1COCCN2CCOCCOCCN(CCO1)COCCOC2
InChIInChI=1S/C16H32N2O6/c1-5-19-9-10-21-7-3-18-4-8-22-12-11-20-6-2-17(1)15-23-13-14-24-16-18/h1-16H2
InChIKeyNUIWFGBJKQULEK-UHFFFAOYSA-N
MW348.44 g/mol
LogP-0.37
Rot. Bonds

About 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane

4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane (PubChem CID 58981463) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane.

Molecular Properties

Compound Name4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
PubChem CID58981463
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Name4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
SMILESC1COCCN2CCOCCOCCN(CCO1)COCCOC2
InChIInChI=1S/C16H32N2O6/c1-5-19-9-10-21-7-3-18-4-8-22-12-11-20-6-2-17(1)15-23-13-14-24-16-18/h1-16H2
InChIKeyNUIWFGBJKQULEK-UHFFFAOYSA-N
XLogP-0.37
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
CID 14967081
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
CID 23689698
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
1,4-dioxane
CID 161483686
1,4,7-dioxazonan-7-amine
CID 147560539
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
7-methyl-1,4,7-dioxazecane
CID 59020799
26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene
CID 15335993
1,4-dioxane;silver
CID 157261770
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
diamino(dimorpholin-4-yl)phosphanium
CID 23415033

Frequently Asked Questions

What is the IUPAC name of 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane?
The IUPAC name of 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane (CID 58981463) is 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane.
What is the SMILES notation for 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane?
The canonical SMILES for 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane is C1COCCN2CCOCCOCCN(CCO1)COCCOC2.
What is the InChIKey of 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane?
The InChIKey is NUIWFGBJKQULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6/c1-5-19-9-10-21-7-3-18-4-8-22-12-11-20-6-2-17(1)15-23-13-14-24-16-18/h1-16H2.
What are the key properties of 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane?
4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane has a molecular weight of 348.44 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane is sourced from PubChem (CID 58981463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).