5-decyl-1,3-oxazinan-2-one

C14H27NO2 — CID 22163713

IUPAC5-decyl-1,3-oxazinan-2-one
SMILESCCCCCCCCCCC1CNC(=O)OC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13-11-15-14(16)17-12-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyVLSYJWZCFJKLLX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.87
Rot. Bonds9

About 5-decyl-1,3-oxazinan-2-one

5-decyl-1,3-oxazinan-2-one (PubChem CID 22163713) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-decyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-decyl-1,3-oxazinan-2-one
PubChem CID22163713
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-decyl-1,3-oxazinan-2-one
SMILESCCCCCCCCCCC1CNC(=O)OC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13-11-15-14(16)17-12-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyVLSYJWZCFJKLLX-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 5-decyl-1,3-oxazinan-2-one?
The IUPAC name of 5-decyl-1,3-oxazinan-2-one (CID 22163713) is 5-decyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-decyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-decyl-1,3-oxazinan-2-one is CCCCCCCCCCC1CNC(=O)OC1.
What is the InChIKey of 5-decyl-1,3-oxazinan-2-one?
The InChIKey is VLSYJWZCFJKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13-11-15-14(16)17-12-13/h13H,2-12H2,1H3,(H,15,16).
What are the key properties of 5-decyl-1,3-oxazinan-2-one?
5-decyl-1,3-oxazinan-2-one has a molecular weight of 241.37 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-1,3-oxazinan-2-one is sourced from PubChem (CID 22163713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).