(Z)-but-2-enedioic acid;ethenoxyethane

C8H12O5 — CID 87901809

IUPAC(Z)-but-2-enedioic acid;ethenoxyethane
SMILESC=COCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H8O/c5-3(6)1-2-4(7)8;1-3-5-4-2/h1-2H,(H,5,6)(H,7,8);3H,1,4H2,2H3/b2-1-;
InChIKeyUWFPLNVHOVPVQX-ODZAUARKSA-N
MW188.18 g/mol
LogP0.88
Rot. Bonds4

About (Z)-but-2-enedioic acid;ethenoxyethane

(Z)-but-2-enedioic acid;ethenoxyethane (PubChem CID 87901809) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethenoxyethane.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethenoxyethane
PubChem CID87901809
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(Z)-but-2-enedioic acid;ethenoxyethane
SMILESC=COCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H8O/c5-3(6)1-2-4(7)8;1-3-5-4-2/h1-2H,(H,5,6)(H,7,8);3H,1,4H2,2H3/b2-1-;
InChIKeyUWFPLNVHOVPVQX-ODZAUARKSA-N
XLogP0.88
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;1-ethenoxybutane
CID 18004020
but-3-en-2-one;ethenoxyethane
CID 18988720
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
ethanol;3-ethoxyprop-2-enoic acid
CID 173210904
ethanol;3-ethoxyprop-2-enoic acid
CID 173050245
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
(2E)-4-ethoxypenta-2,4-dienoic acid
CID 87744766
CID 88648696
CID 88648696
4-ethoxypenta-2,4-dienoic acid
CID 57246657
(Z)-but-2-enedioic acid;ethene;ethenoxyethene
CID 173139287
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethenoxyethane?
The IUPAC name of (Z)-but-2-enedioic acid;ethenoxyethane (CID 87901809) is (Z)-but-2-enedioic acid;ethenoxyethane.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethenoxyethane?
The canonical SMILES for (Z)-but-2-enedioic acid;ethenoxyethane is C=COCC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;ethenoxyethane?
The InChIKey is UWFPLNVHOVPVQX-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C4H8O/c5-3(6)1-2-4(7)8;1-3-5-4-2/h1-2H,(H,5,6)(H,7,8);3H,1,4H2,2H3/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;ethenoxyethane?
(Z)-but-2-enedioic acid;ethenoxyethane has a molecular weight of 188.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;ethenoxyethane is sourced from PubChem (CID 87901809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).