2-(dimethoxymethyl)prop-2-enoic acid

C6H10O4 — CID 19785759

IUPAC2-(dimethoxymethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(OC)OC
InChIInChI=1S/C6H10O4/c1-4(5(7)8)6(9-2)10-3/h6H,1H2,2-3H3,(H,7,8)
InChIKeyRDRDRLLRXVQKNJ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.25
Rot. Bonds4

About 2-(dimethoxymethyl)prop-2-enoic acid

2-(dimethoxymethyl)prop-2-enoic acid (PubChem CID 19785759) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(dimethoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethoxymethyl)prop-2-enoic acid
PubChem CID19785759
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-(dimethoxymethyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C(OC)OC
InChIInChI=1S/C6H10O4/c1-4(5(7)8)6(9-2)10-3/h6H,1H2,2-3H3,(H,7,8)
InChIKeyRDRDRLLRXVQKNJ-UHFFFAOYSA-N
XLogP0.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(dimethoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(dimethoxymethyl)prop-2-enoic acid (CID 19785759) is 2-(dimethoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(dimethoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(dimethoxymethyl)prop-2-enoic acid is C=C(C(=O)O)C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)prop-2-enoic acid?
The InChIKey is RDRDRLLRXVQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(5(7)8)6(9-2)10-3/h6H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-(dimethoxymethyl)prop-2-enoic acid?
2-(dimethoxymethyl)prop-2-enoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 19785759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).