3-oxopent-4-enoyl 3-oxopent-4-enoate

C10H10O5 — CID 54298362

IUPAC3-oxopent-4-enoyl 3-oxopent-4-enoate
SMILESC=CC(=O)CC(=O)OC(=O)CC(=O)C=C
InChIInChI=1S/C10H10O5/c1-3-7(11)5-9(13)15-10(14)6-8(12)4-2/h3-4H,1-2,5-6H2
InChIKeySCJRCDOCTUZYPF-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.35
Rot. Bonds6

About 3-oxopent-4-enoyl 3-oxopent-4-enoate

3-oxopent-4-enoyl 3-oxopent-4-enoate (PubChem CID 54298362) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-oxopent-4-enoyl 3-oxopent-4-enoate.

Molecular Properties

Compound Name3-oxopent-4-enoyl 3-oxopent-4-enoate
PubChem CID54298362
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-oxopent-4-enoyl 3-oxopent-4-enoate
SMILESC=CC(=O)CC(=O)OC(=O)CC(=O)C=C
InChIInChI=1S/C10H10O5/c1-3-7(11)5-9(13)15-10(14)6-8(12)4-2/h3-4H,1-2,5-6H2
InChIKeySCJRCDOCTUZYPF-UHFFFAOYSA-N
XLogP0.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-oxopent-4-enoyl 3-oxopent-4-enoate?
The IUPAC name of 3-oxopent-4-enoyl 3-oxopent-4-enoate (CID 54298362) is 3-oxopent-4-enoyl 3-oxopent-4-enoate.
What is the SMILES notation for 3-oxopent-4-enoyl 3-oxopent-4-enoate?
The canonical SMILES for 3-oxopent-4-enoyl 3-oxopent-4-enoate is C=CC(=O)CC(=O)OC(=O)CC(=O)C=C.
What is the InChIKey of 3-oxopent-4-enoyl 3-oxopent-4-enoate?
The InChIKey is SCJRCDOCTUZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-3-7(11)5-9(13)15-10(14)6-8(12)4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-oxopent-4-enoyl 3-oxopent-4-enoate?
3-oxopent-4-enoyl 3-oxopent-4-enoate has a molecular weight of 210.18 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopent-4-enoyl 3-oxopent-4-enoate is sourced from PubChem (CID 54298362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).