ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid

C7H10O4 — CID 87864745

IUPACethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
SMILESC=C.COC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6O4.C2H4/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);1-2H2/b3-2-;
InChIKeyUCPUOGWOTAZUSZ-OLGQORCHSA-N
MW158.15 g/mol
LogP0.60
Rot. Bonds2

About ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid

ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid (PubChem CID 87864745) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Nameethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
PubChem CID87864745
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
SMILESC=C.COC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6O4.C2H4/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);1-2H2/b3-2-;
InChIKeyUCPUOGWOTAZUSZ-OLGQORCHSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219
CID 160615105
CID 160615105
(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
CID 174862788
18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid
CID 163060981
(2E,4Z,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 175795333
1-chloropentane;(E)-4-methoxy-4-oxobut-2-enoic acid
CID 174296166
(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
(2Z,4E,6Z,8E,10Z,12E,14Z,16Z,18Z)-20-methoxy-4,8,12,16-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 92532880
1-benzothiophene;4-methoxy-4-oxobut-2-enoic acid
CID 175206367

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The IUPAC name of ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid (CID 87864745) is ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid.
What is the SMILES notation for ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The canonical SMILES for ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid is C=C.COC(=O)/C=C\C(=O)O.
What is the InChIKey of ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The InChIKey is UCPUOGWOTAZUSZ-OLGQORCHSA-N. The full InChI is InChI=1S/C5H6O4.C2H4/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);1-2H2/b3-2-;.
What are the key properties of ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid?
ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid has a molecular weight of 158.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 87864745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).