(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)

C12H16O8 — CID 174373219

IUPAC(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3-4(5)6-2/h1-2H,(H,5,6)(H,7,8);2*3H,1H2,2H3/b2-1-;;
InChIKeyFOGOQBMURIUQLQ-UAIGNFCESA-N
MW288.25 g/mol
LogP0.40
Rot. Bonds4

About (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)

(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate) (PubChem CID 174373219) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate).

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
PubChem CID174373219
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Name(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3-4(5)6-2/h1-2H,(H,5,6)(H,7,8);2*3H,1H2,2H3/b2-1-;;
InChIKeyFOGOQBMURIUQLQ-UAIGNFCESA-N
XLogP0.40
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
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CID 174514535
bis(methyl prop-2-enoate);propane
CID 160610529
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
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CID 174578648
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CID 159119515

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)?
The IUPAC name of (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate) (CID 174373219) is (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate).
What is the SMILES notation for (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)?
The canonical SMILES for (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate) is C=CC(=O)OC.C=CC(=O)OC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)?
The InChIKey is FOGOQBMURIUQLQ-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.2C4H6O2/c5-3(6)1-2-4(7)8;2*1-3-4(5)6-2/h1-2H,(H,5,6)(H,7,8);2*3H,1H2,2H3/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)?
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate) has a molecular weight of 288.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;bis(methyl prop-2-enoate) is sourced from PubChem (CID 174373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).