18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane

C16H32O6 — CID 542436

IUPAC18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane
SMILESCCCC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C16H32O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h16H,2-15H2,1H3
InChIKeyKIXXSWMIDFHMPM-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.52
Rot. Bonds2

About 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane

18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane (PubChem CID 542436) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane.

Molecular Properties

Compound Name18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane
PubChem CID542436
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane
SMILESCCCC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C16H32O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h16H,2-15H2,1H3
InChIKeyKIXXSWMIDFHMPM-UHFFFAOYSA-N
XLogP1.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The IUPAC name of 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane (CID 542436) is 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane.
What is the SMILES notation for 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The canonical SMILES for 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane is CCCC1COCCOCCOCCOCCOCCOC1.
What is the InChIKey of 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The InChIKey is KIXXSWMIDFHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h16H,2-15H2,1H3.
What are the key properties of 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane?
18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane has a molecular weight of 320.43 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-propyl-1,4,7,10,13,16-hexaoxacyclononadecane is sourced from PubChem (CID 542436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).