2,3-dimethoxyprop-2-enoic acid

C5H8O4 — CID 73186284

IUPAC2,3-dimethoxyprop-2-enoic acid
SMILESCOC=C(OC)C(=O)O
InChIInChI=1S/C5H8O4/c1-8-3-4(9-2)5(6)7/h3H,1-2H3,(H,6,7)
InChIKeyYAMYPUYJMPXJPH-UHFFFAOYSA-N
MW132.11 g/mol
LogP0.21
Rot. Bonds3

About 2,3-dimethoxyprop-2-enoic acid

2,3-dimethoxyprop-2-enoic acid (PubChem CID 73186284) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 2,3-dimethoxyprop-2-enoic acid.

Molecular Properties

Compound Name2,3-dimethoxyprop-2-enoic acid
PubChem CID73186284
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2,3-dimethoxyprop-2-enoic acid
SMILESCOC=C(OC)C(=O)O
InChIInChI=1S/C5H8O4/c1-8-3-4(9-2)5(6)7/h3H,1-2H3,(H,6,7)
InChIKeyYAMYPUYJMPXJPH-UHFFFAOYSA-N
XLogP0.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxyprop-2-enoic acid?
The IUPAC name of 2,3-dimethoxyprop-2-enoic acid (CID 73186284) is 2,3-dimethoxyprop-2-enoic acid.
What is the SMILES notation for 2,3-dimethoxyprop-2-enoic acid?
The canonical SMILES for 2,3-dimethoxyprop-2-enoic acid is COC=C(OC)C(=O)O.
What is the InChIKey of 2,3-dimethoxyprop-2-enoic acid?
The InChIKey is YAMYPUYJMPXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-8-3-4(9-2)5(6)7/h3H,1-2H3,(H,6,7).
What are the key properties of 2,3-dimethoxyprop-2-enoic acid?
2,3-dimethoxyprop-2-enoic acid has a molecular weight of 132.11 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxyprop-2-enoic acid is sourced from PubChem (CID 73186284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).