18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane

C16H33NO5 — CID 142531198

IUPAC18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane
SMILESCC(C)C1COCCNCCOCCOCCOCCOC1
InChIInChI=1S/C16H33NO5/c1-15(2)16-13-21-6-4-17-3-5-18-7-8-19-9-10-20-11-12-22-14-16/h15-17H,3-14H2,1-2H3
InChIKeyKLUIYETVNXQEKI-UHFFFAOYSA-N
MW319.44 g/mol
LogP0.94
Rot. Bonds1

About 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane

18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane (PubChem CID 142531198) has the molecular formula C16H33NO5 and a molecular weight of 319.44 g/mol. Its IUPAC name is 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane.

Molecular Properties

Compound Name18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane
PubChem CID142531198
Molecular FormulaC16H33NO5
Molecular Weight319.44 g/mol
Exact Mass319.24
IUPAC Name18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane
SMILESCC(C)C1COCCNCCOCCOCCOCCOC1
InChIInChI=1S/C16H33NO5/c1-15(2)16-13-21-6-4-17-3-5-18-7-8-19-9-10-20-11-12-22-14-16/h15-17H,3-14H2,1-2H3
InChIKeyKLUIYETVNXQEKI-UHFFFAOYSA-N
XLogP0.94
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4,7-trioxa-10-azacyclododecane
CID 545817
1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 10706622
1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
CID 10063702
ethane;morpholine
CID 91516807
1,7-dioxa-4,10-diazacyclododecane;piperazine;1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 158651614
12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
CID 14205920
methylphosphane;morpholine
CID 171535935
morpholine;sulfane
CID 70348588
sodium morpholine
CID 21469219
morpholine;ruthenium(3+)
CID 162097690
morpholine;piperazine
CID 22665942
CID 87713044
CID 87713044

Frequently Asked Questions

What is the IUPAC name of 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane?
The IUPAC name of 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane (CID 142531198) is 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane.
What is the SMILES notation for 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane?
The canonical SMILES for 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane is CC(C)C1COCCNCCOCCOCCOCCOC1.
What is the InChIKey of 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane?
The InChIKey is KLUIYETVNXQEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO5/c1-15(2)16-13-21-6-4-17-3-5-18-7-8-19-9-10-20-11-12-22-14-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane?
18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane has a molecular weight of 319.44 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-propan-2-yl-1,4,7,10,16-pentaoxa-13-azacyclononadecane is sourced from PubChem (CID 142531198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).