2,5-dioxohexyl pent-4-enoate

C11H16O4 — CID 89281649

IUPAC2,5-dioxohexyl pent-4-enoate
SMILESC=CCCC(=O)OCC(=O)CCC(C)=O
InChIInChI=1S/C11H16O4/c1-3-4-5-11(14)15-8-10(13)7-6-9(2)12/h3H,1,4-8H2,2H3
InChIKeyPFFZEUAXRCQFLP-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.43
Rot. Bonds8

About 2,5-dioxohexyl pent-4-enoate

2,5-dioxohexyl pent-4-enoate (PubChem CID 89281649) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,5-dioxohexyl pent-4-enoate.

Molecular Properties

Compound Name2,5-dioxohexyl pent-4-enoate
PubChem CID89281649
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,5-dioxohexyl pent-4-enoate
SMILESC=CCCC(=O)OCC(=O)CCC(C)=O
InChIInChI=1S/C11H16O4/c1-3-4-5-11(14)15-8-10(13)7-6-9(2)12/h3H,1,4-8H2,2H3
InChIKeyPFFZEUAXRCQFLP-UHFFFAOYSA-N
XLogP1.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxohexyl pent-4-enoate?
The IUPAC name of 2,5-dioxohexyl pent-4-enoate (CID 89281649) is 2,5-dioxohexyl pent-4-enoate.
What is the SMILES notation for 2,5-dioxohexyl pent-4-enoate?
The canonical SMILES for 2,5-dioxohexyl pent-4-enoate is C=CCCC(=O)OCC(=O)CCC(C)=O.
What is the InChIKey of 2,5-dioxohexyl pent-4-enoate?
The InChIKey is PFFZEUAXRCQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-4-5-11(14)15-8-10(13)7-6-9(2)12/h3H,1,4-8H2,2H3.
What are the key properties of 2,5-dioxohexyl pent-4-enoate?
2,5-dioxohexyl pent-4-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxohexyl pent-4-enoate is sourced from PubChem (CID 89281649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).