(Z)-2-ethenoxybut-2-enoic acid

C6H8O3 — CID 142329685

IUPAC(Z)-2-ethenoxybut-2-enoic acid
SMILESC=CO/C(=C\C)C(=O)O
InChIInChI=1S/C6H8O3/c1-3-5(6(7)8)9-4-2/h3-4H,2H2,1H3,(H,7,8)/b5-3-
InChIKeyXCQRXMVCSTUYDH-HYXAFXHYSA-N
MW128.13 g/mol
LogP1.13
Rot. Bonds3

About (Z)-2-ethenoxybut-2-enoic acid

(Z)-2-ethenoxybut-2-enoic acid (PubChem CID 142329685) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (Z)-2-ethenoxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethenoxybut-2-enoic acid
PubChem CID142329685
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(Z)-2-ethenoxybut-2-enoic acid
SMILESC=CO/C(=C\C)C(=O)O
InChIInChI=1S/C6H8O3/c1-3-5(6(7)8)9-4-2/h3-4H,2H2,1H3,(H,7,8)/b5-3-
InChIKeyXCQRXMVCSTUYDH-HYXAFXHYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-chloro-2-ethenoxyprop-2-enoic acid
CID 129245177
methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
2-prop-2-enoxybut-2-enoic acid
CID 74409051
(Z)-2-prop-2-enoxybut-2-enoic acid
CID 25228924
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
CID 143433046
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
3-ethenoxy-2-methylbut-2-enoic acid
CID 173002780
ethenyl hydrogen carbonate;methane
CID 175034349
ethenyl acetate
CID 7904
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenoxybut-2-enoic acid?
The IUPAC name of (Z)-2-ethenoxybut-2-enoic acid (CID 142329685) is (Z)-2-ethenoxybut-2-enoic acid.
What is the SMILES notation for (Z)-2-ethenoxybut-2-enoic acid?
The canonical SMILES for (Z)-2-ethenoxybut-2-enoic acid is C=CO/C(=C\C)C(=O)O.
What is the InChIKey of (Z)-2-ethenoxybut-2-enoic acid?
The InChIKey is XCQRXMVCSTUYDH-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5(6(7)8)9-4-2/h3-4H,2H2,1H3,(H,7,8)/b5-3-.
What are the key properties of (Z)-2-ethenoxybut-2-enoic acid?
(Z)-2-ethenoxybut-2-enoic acid has a molecular weight of 128.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenoxybut-2-enoic acid is sourced from PubChem (CID 142329685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).