3-ethenoxy-2-methylbut-2-enoic acid

C7H10O3 — CID 173002780

IUPAC3-ethenoxy-2-methylbut-2-enoic acid
SMILESC=COC(C)=C(C)C(=O)O
InChIInChI=1S/C7H10O3/c1-4-10-6(3)5(2)7(8)9/h4H,1H2,2-3H3,(H,8,9)
InChIKeyLILONHMYNMGBSO-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.52
Rot. Bonds3

About 3-ethenoxy-2-methylbut-2-enoic acid

3-ethenoxy-2-methylbut-2-enoic acid (PubChem CID 173002780) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-ethenoxy-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name3-ethenoxy-2-methylbut-2-enoic acid
PubChem CID173002780
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-ethenoxy-2-methylbut-2-enoic acid
SMILESC=COC(C)=C(C)C(=O)O
InChIInChI=1S/C7H10O3/c1-4-10-6(3)5(2)7(8)9/h4H,1H2,2-3H3,(H,8,9)
InChIKeyLILONHMYNMGBSO-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.52
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

ethenyl acetate
CID 7904
buta-1,3-diene;2,3-dimethylbut-2-enedioic acid
CID 173437060
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
carbonofluoridic acid;ethenyl acetate
CID 157176220
ethene;ethenyl acetate;hydrofluoride
CID 158693082
(Z)-3-acetyloxy-2-methylbut-2-enoic acid
CID 172687880
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
(Z)-2,3-dimethylbut-2-enedioic acid
CID 88647549
ethenyl hydrogen carbonate;methane
CID 175034349
acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-methylbut-2-enoic acid?
The IUPAC name of 3-ethenoxy-2-methylbut-2-enoic acid (CID 173002780) is 3-ethenoxy-2-methylbut-2-enoic acid.
What is the SMILES notation for 3-ethenoxy-2-methylbut-2-enoic acid?
The canonical SMILES for 3-ethenoxy-2-methylbut-2-enoic acid is C=COC(C)=C(C)C(=O)O.
What is the InChIKey of 3-ethenoxy-2-methylbut-2-enoic acid?
The InChIKey is LILONHMYNMGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-10-6(3)5(2)7(8)9/h4H,1H2,2-3H3,(H,8,9).
What are the key properties of 3-ethenoxy-2-methylbut-2-enoic acid?
3-ethenoxy-2-methylbut-2-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-methylbut-2-enoic acid is sourced from PubChem (CID 173002780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).