5-ethyl-5-hexyl-1,3-oxazolidin-2-one

C11H21NO2 — CID 118214328

IUPAC5-ethyl-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1(CC)CNC(=O)O1
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-11(4-2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyNZMCGJHAUHMYNK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.85
Rot. Bonds6

About 5-ethyl-5-hexyl-1,3-oxazolidin-2-one

5-ethyl-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 118214328) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-ethyl-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-hexyl-1,3-oxazolidin-2-one
PubChem CID118214328
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-ethyl-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1(CC)CNC(=O)O1
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-11(4-2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyNZMCGJHAUHMYNK-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.85
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-ethyl-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-5-hexyl-1,3-oxazolidin-2-one (CID 118214328) is 5-ethyl-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1(CC)CNC(=O)O1.
What is the InChIKey of 5-ethyl-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is NZMCGJHAUHMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-11(4-2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-5-hexyl-1,3-oxazolidin-2-one?
5-ethyl-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118214328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).