3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)

C15H14O9 — CID 161324084

IUPAC3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C=CC(=C=O)C=C=O
InChIInChI=1S/C6H2O3.3C3H4O2/c7-3-1-6(5-9)2-4-8;3*1-2-3(4)5/h1-2H;3*2H,1H2,(H,4,5)
InChIKeyVKNMACCCZFRPGT-UHFFFAOYSA-N
MW338.27 g/mol
LogP0.29
Rot. Bonds5

About 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)

3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) (PubChem CID 161324084) has the molecular formula C15H14O9 and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid).

Molecular Properties

Compound Name3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)
PubChem CID161324084
Molecular FormulaC15H14O9
Molecular Weight338.27 g/mol
Exact Mass338.06
IUPAC Name3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C=CC(=C=O)C=C=O
InChIInChI=1S/C6H2O3.3C3H4O2/c7-3-1-6(5-9)2-4-8;3*1-2-3(4)5/h1-2H;3*2H,1H2,(H,4,5)
InChIKeyVKNMACCCZFRPGT-UHFFFAOYSA-N
XLogP0.29
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon dioxide;prop-2-enoic acid
CID 91485631
propa-1,2-diene;prop-2-enoic acid
CID 87528700
prop-2-enoic acid;hydrochloride
CID 22354205
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
Acrylic acid potassium salt
CID 87124626

Frequently Asked Questions

What is the IUPAC name of 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)?
The IUPAC name of 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) (CID 161324084) is 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid).
What is the SMILES notation for 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)?
The canonical SMILES for 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C=CC(=C=O)C=C=O.
What is the InChIKey of 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)?
The InChIKey is VKNMACCCZFRPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2O3.3C3H4O2/c7-3-1-6(5-9)2-4-8;3*1-2-3(4)5/h1-2H;3*2H,1H2,(H,4,5).
What are the key properties of 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid)?
3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) has a molecular weight of 338.27 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxomethylidene)penta-1,4-diene-1,5-dione;tris(prop-2-enoic acid) is sourced from PubChem (CID 161324084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).