3-decanoyloxolane-2,4-dione

C14H22O4 — CID 54093084

IUPAC3-decanoyloxolane-2,4-dione
SMILESCCCCCCCCCC(=O)C1C(=O)COC1=O
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-9-11(15)13-12(16)10-18-14(13)17/h13H,2-10H2,1H3
InChIKeyMVFPUUIHWLFOSJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.44
Rot. Bonds9

About 3-decanoyloxolane-2,4-dione

3-decanoyloxolane-2,4-dione (PubChem CID 54093084) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-decanoyloxolane-2,4-dione.

Molecular Properties

Compound Name3-decanoyloxolane-2,4-dione
PubChem CID54093084
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-decanoyloxolane-2,4-dione
SMILESCCCCCCCCCC(=O)C1C(=O)COC1=O
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-9-11(15)13-12(16)10-18-14(13)17/h13H,2-10H2,1H3
InChIKeyMVFPUUIHWLFOSJ-UHFFFAOYSA-N
XLogP2.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-decanoyloxolane-2,4-dione?
The IUPAC name of 3-decanoyloxolane-2,4-dione (CID 54093084) is 3-decanoyloxolane-2,4-dione.
What is the SMILES notation for 3-decanoyloxolane-2,4-dione?
The canonical SMILES for 3-decanoyloxolane-2,4-dione is CCCCCCCCCC(=O)C1C(=O)COC1=O.
What is the InChIKey of 3-decanoyloxolane-2,4-dione?
The InChIKey is MVFPUUIHWLFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-9-11(15)13-12(16)10-18-14(13)17/h13H,2-10H2,1H3.
What are the key properties of 3-decanoyloxolane-2,4-dione?
3-decanoyloxolane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyloxolane-2,4-dione is sourced from PubChem (CID 54093084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).