17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol

C16H33NO7 — CID 13128589

IUPAC17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol
SMILESCCN1CC(O)COCCOCCOCCOCCOCC(O)C1
InChIInChI=1S/C16H33NO7/c1-2-17-11-15(18)13-23-9-7-21-5-3-20-4-6-22-8-10-24-14-16(19)12-17/h15-16,18-19H,2-14H2,1H3
InChIKeyHSGWLSIMEGWNSI-UHFFFAOYSA-N
MW351.44 g/mol
LogP-0.87
Rot. Bonds1

About 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol

17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol (PubChem CID 13128589) has the molecular formula C16H33NO7 and a molecular weight of 351.44 g/mol. Its IUPAC name is 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol.

Molecular Properties

Compound Name17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol
PubChem CID13128589
Molecular FormulaC16H33NO7
Molecular Weight351.44 g/mol
Exact Mass351.23
IUPAC Name17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol
SMILESCCN1CC(O)COCCOCCOCCOCCOCC(O)C1
InChIInChI=1S/C16H33NO7/c1-2-17-11-15(18)13-23-9-7-21-5-3-20-4-6-22-8-10-24-14-16(19)12-17/h15-16,18-19H,2-14H2,1H3
InChIKeyHSGWLSIMEGWNSI-UHFFFAOYSA-N
XLogP-0.87
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol?
The IUPAC name of 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol (CID 13128589) is 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol.
What is the SMILES notation for 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol?
The canonical SMILES for 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol is CCN1CC(O)COCCOCCOCCOCCOCC(O)C1.
What is the InChIKey of 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol?
The InChIKey is HSGWLSIMEGWNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO7/c1-2-17-11-15(18)13-23-9-7-21-5-3-20-4-6-22-8-10-24-14-16(19)12-17/h15-16,18-19H,2-14H2,1H3.
What are the key properties of 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol?
17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol has a molecular weight of 351.44 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol is sourced from PubChem (CID 13128589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).