16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C13H27NO5 — CID 6611180

IUPAC16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C13H27NO5/c1-14-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2-13H2,1H3
InChIKeyYPCNKQAXDFDMSC-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.01
Rot. Bonds

About 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 6611180) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID6611180
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C13H27NO5/c1-14-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2-13H2,1H3
InChIKeyYPCNKQAXDFDMSC-UHFFFAOYSA-N
XLogP0.01
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 6611180) is 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is CN1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is YPCNKQAXDFDMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-14-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2-13H2,1H3.
What are the key properties of 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 277.36 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 6611180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).