9-cyclononyloxazonane

C16H31NO — CID 71145462

IUPAC9-cyclononyloxazonane
SMILESC1CCCCC(C2CCCCCCNO2)CCC1
InChIInChI=1S/C16H31NO/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h15-17H,1-14H2
InChIKeyVKTDSWREYXYUPQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.59
Rot. Bonds1

About 9-cyclononyloxazonane

9-cyclononyloxazonane (PubChem CID 71145462) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 9-cyclononyloxazonane.

Molecular Properties

Compound Name9-cyclononyloxazonane
PubChem CID71145462
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name9-cyclononyloxazonane
SMILESC1CCCCC(C2CCCCCCNO2)CCC1
InChIInChI=1S/C16H31NO/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h15-17H,1-14H2
InChIKeyVKTDSWREYXYUPQ-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-cyclononyloxazonane?
The IUPAC name of 9-cyclononyloxazonane (CID 71145462) is 9-cyclononyloxazonane.
What is the SMILES notation for 9-cyclononyloxazonane?
The canonical SMILES for 9-cyclononyloxazonane is C1CCCCC(C2CCCCCCNO2)CCC1.
What is the InChIKey of 9-cyclononyloxazonane?
The InChIKey is VKTDSWREYXYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h15-17H,1-14H2.
What are the key properties of 9-cyclononyloxazonane?
9-cyclononyloxazonane has a molecular weight of 253.43 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclononyloxazonane is sourced from PubChem (CID 71145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).