5-hexyl-1,3-oxazolidine-2,4-dione

C9H15NO3 — CID 59949957

IUPAC5-hexyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCCC1OC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-5-6-7-8(11)10-9(12)13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyJIAYFNFLVHOAPR-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.59
Rot. Bonds5

About 5-hexyl-1,3-oxazolidine-2,4-dione

5-hexyl-1,3-oxazolidine-2,4-dione (PubChem CID 59949957) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-hexyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexyl-1,3-oxazolidine-2,4-dione
PubChem CID59949957
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-hexyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCCC1OC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-5-6-7-8(11)10-9(12)13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyJIAYFNFLVHOAPR-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-hexyl-1,3-oxazolidine-2,4-dione (CID 59949957) is 5-hexyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-hexyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-hexyl-1,3-oxazolidine-2,4-dione is CCCCCCC1OC(=O)NC1=O.
What is the InChIKey of 5-hexyl-1,3-oxazolidine-2,4-dione?
The InChIKey is JIAYFNFLVHOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-4-5-6-7-8(11)10-9(12)13-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 5-hexyl-1,3-oxazolidine-2,4-dione?
5-hexyl-1,3-oxazolidine-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 59949957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).