2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal

C10H10O5 — CID 126483052

IUPAC2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal
SMILESC=CC(=O)C(C=O)OC(C=O)C(=O)C=C
InChIInChI=1S/C10H10O5/c1-3-7(13)9(5-11)15-10(6-12)8(14)4-2/h3-6,9-10H,1-2H2
InChIKeySHQUFQKZPIWNES-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.35
Rot. Bonds8

About 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal

2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal (PubChem CID 126483052) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal.

Molecular Properties

Compound Name2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal
PubChem CID126483052
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal
SMILESC=CC(=O)C(C=O)OC(C=O)C(=O)C=C
InChIInChI=1S/C10H10O5/c1-3-7(13)9(5-11)15-10(6-12)8(14)4-2/h3-6,9-10H,1-2H2
InChIKeySHQUFQKZPIWNES-UHFFFAOYSA-N
XLogP-0.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal?
The IUPAC name of 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal (CID 126483052) is 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal.
What is the SMILES notation for 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal?
The canonical SMILES for 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal is C=CC(=O)C(C=O)OC(C=O)C(=O)C=C.
What is the InChIKey of 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal?
The InChIKey is SHQUFQKZPIWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-3-7(13)9(5-11)15-10(6-12)8(14)4-2/h3-6,9-10H,1-2H2.
What are the key properties of 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal?
2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal has a molecular weight of 210.18 g/mol, XLogP of -0.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxopent-4-en-2-yloxy)-3-oxopent-4-enal is sourced from PubChem (CID 126483052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).