4-decyl-1,3-oxazolidin-2-one

C13H25NO2 — CID 10220190

IUPAC4-decyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyIUWVYVOQTFVXKL-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.63
Rot. Bonds9

About 4-decyl-1,3-oxazolidin-2-one

4-decyl-1,3-oxazolidin-2-one (PubChem CID 10220190) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-decyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-decyl-1,3-oxazolidin-2-one
PubChem CID10220190
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-decyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyIUWVYVOQTFVXKL-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.63
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 4-decyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-decyl-1,3-oxazolidin-2-one (CID 10220190) is 4-decyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-decyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-decyl-1,3-oxazolidin-2-one is CCCCCCCCCCC1COC(=O)N1.
What is the InChIKey of 4-decyl-1,3-oxazolidin-2-one?
The InChIKey is IUWVYVOQTFVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of 4-decyl-1,3-oxazolidin-2-one?
4-decyl-1,3-oxazolidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).