bis(2-methylprop-2-enoic acid);propanedial

C11H16O6 — CID 160578707

IUPACbis(2-methylprop-2-enoic acid);propanedial
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=CCC=O
InChIInChI=1S/2C4H6O2.C3H4O2/c2*1-3(2)4(5)6;4-2-1-3-5/h2*1H2,2H3,(H,5,6);2-3H,1H2
InChIKeyRBMJVUSSDIUNPW-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.07
Rot. Bonds4

About bis(2-methylprop-2-enoic acid);propanedial

bis(2-methylprop-2-enoic acid);propanedial (PubChem CID 160578707) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);propanedial.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);propanedial
PubChem CID160578707
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namebis(2-methylprop-2-enoic acid);propanedial
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=CCC=O
InChIInChI=1S/2C4H6O2.C3H4O2/c2*1-3(2)4(5)6;4-2-1-3-5/h2*1H2,2H3,(H,5,6);2-3H,1H2
InChIKeyRBMJVUSSDIUNPW-UHFFFAOYSA-N
XLogP1.07
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

butanedioic acid;bis(2-methylprop-2-enoic acid)
CID 87659592
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
CID 131883821
CID 131883821
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
CID 173413432
CID 173413432

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);propanedial?
The IUPAC name of bis(2-methylprop-2-enoic acid);propanedial (CID 160578707) is bis(2-methylprop-2-enoic acid);propanedial.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);propanedial?
The canonical SMILES for bis(2-methylprop-2-enoic acid);propanedial is C=C(C)C(=O)O.C=C(C)C(=O)O.O=CCC=O.
What is the InChIKey of bis(2-methylprop-2-enoic acid);propanedial?
The InChIKey is RBMJVUSSDIUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.C3H4O2/c2*1-3(2)4(5)6;4-2-1-3-5/h2*1H2,2H3,(H,5,6);2-3H,1H2.
What are the key properties of bis(2-methylprop-2-enoic acid);propanedial?
bis(2-methylprop-2-enoic acid);propanedial has a molecular weight of 244.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);propanedial is sourced from PubChem (CID 160578707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).