5-cyclononyl-1,5-oxazonane

C16H31NO — CID 154308652

IUPAC5-cyclononyl-1,5-oxazonane
SMILESC1CCCCC(N2CCCCOCCC2)CCC1
InChIInChI=1S/C16H31NO/c1-2-4-6-11-16(10-5-3-1)17-12-7-8-14-18-15-9-13-17/h16H,1-15H2
InChIKeyMXHHGNHKTOLTCC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.99
Rot. Bonds1

About 5-cyclononyl-1,5-oxazonane

5-cyclononyl-1,5-oxazonane (PubChem CID 154308652) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-cyclononyl-1,5-oxazonane.

Molecular Properties

Compound Name5-cyclononyl-1,5-oxazonane
PubChem CID154308652
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5-cyclononyl-1,5-oxazonane
SMILESC1CCCCC(N2CCCCOCCC2)CCC1
InChIInChI=1S/C16H31NO/c1-2-4-6-11-16(10-5-3-1)17-12-7-8-14-18-15-9-13-17/h16H,1-15H2
InChIKeyMXHHGNHKTOLTCC-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclononyl-1,5-oxazonane?
The IUPAC name of 5-cyclononyl-1,5-oxazonane (CID 154308652) is 5-cyclononyl-1,5-oxazonane.
What is the SMILES notation for 5-cyclononyl-1,5-oxazonane?
The canonical SMILES for 5-cyclononyl-1,5-oxazonane is C1CCCCC(N2CCCCOCCC2)CCC1.
What is the InChIKey of 5-cyclononyl-1,5-oxazonane?
The InChIKey is MXHHGNHKTOLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-4-6-11-16(10-5-3-1)17-12-7-8-14-18-15-9-13-17/h16H,1-15H2.
What are the key properties of 5-cyclononyl-1,5-oxazonane?
5-cyclononyl-1,5-oxazonane has a molecular weight of 253.43 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclononyl-1,5-oxazonane is sourced from PubChem (CID 154308652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).