(Z)-but-2-enedioic acid;ethene;ethenyl acetate

C10H14O6 — CID 174897820

IUPAC(Z)-but-2-enedioic acid;ethene;ethenyl acetate
SMILESC=C.C=COC(C)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O2.C2H4/c5-3(6)1-2-4(7)8;1-3-6-4(2)5;1-2/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b2-1-;;
InChIKeyAXFHFHGZFWZCOH-UAIGNFCESA-N
MW230.22 g/mol
LogP1.21
Rot. Bonds3

About (Z)-but-2-enedioic acid;ethene;ethenyl acetate

(Z)-but-2-enedioic acid;ethene;ethenyl acetate (PubChem CID 174897820) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethene;ethenyl acetate.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethene;ethenyl acetate
PubChem CID174897820
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(Z)-but-2-enedioic acid;ethene;ethenyl acetate
SMILESC=C.C=COC(C)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O2.C2H4/c5-3(6)1-2-4(7)8;1-3-6-4(2)5;1-2/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b2-1-;;
InChIKeyAXFHFHGZFWZCOH-UAIGNFCESA-N
XLogP1.21
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
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ethenyl acetate
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CID 157176220
CID 22321303
CID 22321303
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CID 157352075
ethanol;ethenyl acetate;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 88688200
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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethene;ethenyl acetate?
The IUPAC name of (Z)-but-2-enedioic acid;ethene;ethenyl acetate (CID 174897820) is (Z)-but-2-enedioic acid;ethene;ethenyl acetate.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethene;ethenyl acetate?
The canonical SMILES for (Z)-but-2-enedioic acid;ethene;ethenyl acetate is C=C.C=COC(C)=O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;ethene;ethenyl acetate?
The InChIKey is AXFHFHGZFWZCOH-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.C4H6O2.C2H4/c5-3(6)1-2-4(7)8;1-3-6-4(2)5;1-2/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;ethene;ethenyl acetate?
(Z)-but-2-enedioic acid;ethene;ethenyl acetate has a molecular weight of 230.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;ethene;ethenyl acetate is sourced from PubChem (CID 174897820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).