3-nonan-2-yl-1,3-oxazetidine

C11H23NO — CID 134510422

IUPAC3-nonan-2-yl-1,3-oxazetidine
SMILESCCCCCCCC(C)N1COC1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-11(2)12-9-13-10-12/h11H,3-10H2,1-2H3
InChIKeyRXUYQWISFKLDPJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.98
Rot. Bonds7

About 3-nonan-2-yl-1,3-oxazetidine

3-nonan-2-yl-1,3-oxazetidine (PubChem CID 134510422) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-nonan-2-yl-1,3-oxazetidine.

Molecular Properties

Compound Name3-nonan-2-yl-1,3-oxazetidine
PubChem CID134510422
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-nonan-2-yl-1,3-oxazetidine
SMILESCCCCCCCC(C)N1COC1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-11(2)12-9-13-10-12/h11H,3-10H2,1-2H3
InChIKeyRXUYQWISFKLDPJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nonan-2-yl-1,3-oxazetidine?
The IUPAC name of 3-nonan-2-yl-1,3-oxazetidine (CID 134510422) is 3-nonan-2-yl-1,3-oxazetidine.
What is the SMILES notation for 3-nonan-2-yl-1,3-oxazetidine?
The canonical SMILES for 3-nonan-2-yl-1,3-oxazetidine is CCCCCCCC(C)N1COC1.
What is the InChIKey of 3-nonan-2-yl-1,3-oxazetidine?
The InChIKey is RXUYQWISFKLDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-6-7-8-11(2)12-9-13-10-12/h11H,3-10H2,1-2H3.
What are the key properties of 3-nonan-2-yl-1,3-oxazetidine?
3-nonan-2-yl-1,3-oxazetidine has a molecular weight of 185.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-2-yl-1,3-oxazetidine is sourced from PubChem (CID 134510422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).