5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

C20H38N2O6 — CID 123259415

IUPAC5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
SMILESC=CC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1
InChIInChI=1S/C20H38N2O6/c1-2-20-19-27-13-7-21-3-9-23-15-17-25-11-5-22(8-14-28-20)6-12-26-18-16-24-10-4-21/h2,20H,1,3-19H2
InChIKeyCVXCDZQRVNGMSK-UHFFFAOYSA-N
MW402.53 g/mol
LogP0.27
Rot. Bonds1

About 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane (PubChem CID 123259415) has the molecular formula C20H38N2O6 and a molecular weight of 402.53 g/mol. Its IUPAC name is 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane.

Molecular Properties

Compound Name5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
PubChem CID123259415
Molecular FormulaC20H38N2O6
Molecular Weight402.53 g/mol
Exact Mass402.27
IUPAC Name5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
SMILESC=CC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1
InChIInChI=1S/C20H38N2O6/c1-2-20-19-27-13-7-21-3-9-23-15-17-25-11-5-22(8-14-28-20)6-12-26-18-16-24-10-4-21/h2,20H,1,3-19H2
InChIKeyCVXCDZQRVNGMSK-UHFFFAOYSA-N
XLogP0.27
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane?
The IUPAC name of 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane (CID 123259415) is 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane.
What is the SMILES notation for 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane?
The canonical SMILES for 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane is C=CC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1.
What is the InChIKey of 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane?
The InChIKey is CVXCDZQRVNGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O6/c1-2-20-19-27-13-7-21-3-9-23-15-17-25-11-5-22(8-14-28-20)6-12-26-18-16-24-10-4-21/h2,20H,1,3-19H2.
What are the key properties of 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane?
5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane has a molecular weight of 402.53 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane is sourced from PubChem (CID 123259415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).