3,4-dipropylfuran-2,5-dione

C10H14O3 — CID 14647352

IUPAC3,4-dipropylfuran-2,5-dione
SMILESCCCC1=C(CCC)C(=O)OC1=O
InChIInChI=1S/C10H14O3/c1-3-5-7-8(6-4-2)10(12)13-9(7)11/h3-6H2,1-2H3
InChIKeyLEUYMOCPBBLUPK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.97
Rot. Bonds4

About 3,4-dipropylfuran-2,5-dione

3,4-dipropylfuran-2,5-dione (PubChem CID 14647352) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,4-dipropylfuran-2,5-dione.

Molecular Properties

Compound Name3,4-dipropylfuran-2,5-dione
PubChem CID14647352
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3,4-dipropylfuran-2,5-dione
SMILESCCCC1=C(CCC)C(=O)OC1=O
InChIInChI=1S/C10H14O3/c1-3-5-7-8(6-4-2)10(12)13-9(7)11/h3-6H2,1-2H3
InChIKeyLEUYMOCPBBLUPK-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipropylfuran-2,5-dione?
The IUPAC name of 3,4-dipropylfuran-2,5-dione (CID 14647352) is 3,4-dipropylfuran-2,5-dione.
What is the SMILES notation for 3,4-dipropylfuran-2,5-dione?
The canonical SMILES for 3,4-dipropylfuran-2,5-dione is CCCC1=C(CCC)C(=O)OC1=O.
What is the InChIKey of 3,4-dipropylfuran-2,5-dione?
The InChIKey is LEUYMOCPBBLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-7-8(6-4-2)10(12)13-9(7)11/h3-6H2,1-2H3.
What are the key properties of 3,4-dipropylfuran-2,5-dione?
3,4-dipropylfuran-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropylfuran-2,5-dione is sourced from PubChem (CID 14647352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).