2-tridecan-2-yl-4H-1,4-oxazine

C17H31NO — CID 173176718

IUPAC2-tridecan-2-yl-4H-1,4-oxazine
SMILESCCCCCCCCCCCC(C)C1=CNC=CO1
InChIInChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-16(2)17-15-18-13-14-19-17/h13-16,18H,3-12H2,1-2H3
InChIKeyCGAKYNPCMZZCRT-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.48
Rot. Bonds11

About 2-tridecan-2-yl-4H-1,4-oxazine

2-tridecan-2-yl-4H-1,4-oxazine (PubChem CID 173176718) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-tridecan-2-yl-4H-1,4-oxazine.

Molecular Properties

Compound Name2-tridecan-2-yl-4H-1,4-oxazine
PubChem CID173176718
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-tridecan-2-yl-4H-1,4-oxazine
SMILESCCCCCCCCCCCC(C)C1=CNC=CO1
InChIInChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-16(2)17-15-18-13-14-19-17/h13-16,18H,3-12H2,1-2H3
InChIKeyCGAKYNPCMZZCRT-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-4H-1,4-oxazine
CID 173176596
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2-nonan-2-ylfuran
CID 160791396
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
dodecan-2-yl(trimethyl)silane
CID 11425039
3-bromo-2-methyldodecane
CID 63470480
3-bromo-2-methyldecane
CID 63470479
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
4-docosan-2-ylaniline
CID 22757336

Frequently Asked Questions

What is the IUPAC name of 2-tridecan-2-yl-4H-1,4-oxazine?
The IUPAC name of 2-tridecan-2-yl-4H-1,4-oxazine (CID 173176718) is 2-tridecan-2-yl-4H-1,4-oxazine.
What is the SMILES notation for 2-tridecan-2-yl-4H-1,4-oxazine?
The canonical SMILES for 2-tridecan-2-yl-4H-1,4-oxazine is CCCCCCCCCCCC(C)C1=CNC=CO1.
What is the InChIKey of 2-tridecan-2-yl-4H-1,4-oxazine?
The InChIKey is CGAKYNPCMZZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-16(2)17-15-18-13-14-19-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-tridecan-2-yl-4H-1,4-oxazine?
2-tridecan-2-yl-4H-1,4-oxazine has a molecular weight of 265.44 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecan-2-yl-4H-1,4-oxazine is sourced from PubChem (CID 173176718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).