2-nonyl-5,6-dihydro-4H-1,3-oxazine

C13H25NO — CID 67918689

IUPAC2-nonyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h2-12H2,1H3
InChIKeyFDRCCCDVHDXLJM-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.95
Rot. Bonds8

About 2-nonyl-5,6-dihydro-4H-1,3-oxazine

2-nonyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 67918689) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-nonyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-nonyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID67918689
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-nonyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCCCCC1=NCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h2-12H2,1H3
InChIKeyFDRCCCDVHDXLJM-UHFFFAOYSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.95
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 2-nonyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-nonyl-5,6-dihydro-4H-1,3-oxazine (CID 67918689) is 2-nonyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-nonyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-nonyl-5,6-dihydro-4H-1,3-oxazine is CCCCCCCCCC1=NCCCO1.
What is the InChIKey of 2-nonyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is FDRCCCDVHDXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h2-12H2,1H3.
What are the key properties of 2-nonyl-5,6-dihydro-4H-1,3-oxazine?
2-nonyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 211.35 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 67918689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).