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

C12H18O8 — CID 87659592

IUPACbutanedioic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3(2)4(5)6/h1-2H2,(H,5,6)(H,7,8);2*1H2,2H3,(H,5,6)
InChIKeyCWZCATCQVVCHRH-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.23
Rot. Bonds5

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

butanedioic acid;bis(2-methylprop-2-enoic acid) (PubChem CID 87659592) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is butanedioic acid;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namebutanedioic acid;bis(2-methylprop-2-enoic acid)
PubChem CID87659592
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Namebutanedioic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3(2)4(5)6/h1-2H2,(H,5,6)(H,7,8);2*1H2,2H3,(H,5,6)
InChIKeyCWZCATCQVVCHRH-UHFFFAOYSA-N
XLogP1.23
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;bis(2-methylprop-2-enoic acid);propane-1,2,3-triol
CID 162197824
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 131883821
CID 131883821
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
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
hexanoic acid;2-methylprop-2-enoic acid;zinc
CID 174858800
bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
CID 173413432
CID 173413432

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;bis(2-methylprop-2-enoic acid)?
The IUPAC name of butanedioic acid;bis(2-methylprop-2-enoic acid) (CID 87659592) is butanedioic acid;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for butanedioic acid;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for butanedioic acid;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;bis(2-methylprop-2-enoic acid)?
The InChIKey is CWZCATCQVVCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3(2)4(5)6/h1-2H2,(H,5,6)(H,7,8);2*1H2,2H3,(H,5,6).
What are the key properties of butanedioic acid;bis(2-methylprop-2-enoic acid)?
butanedioic acid;bis(2-methylprop-2-enoic acid) has a molecular weight of 290.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 87659592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).