ethyl 2-(methoxymethyl)prop-2-enoate

C7H12O3 — CID 20770134

IUPACethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCC
InChIInChI=1S/C7H12O3/c1-4-10-7(8)6(2)5-9-3/h2,4-5H2,1,3H3
InChIKeyRDAQSWICNVTIDS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-(methoxymethyl)prop-2-enoate

ethyl 2-(methoxymethyl)prop-2-enoate (PubChem CID 20770134) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)prop-2-enoate
PubChem CID20770134
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCC
InChIInChI=1S/C7H12O3/c1-4-10-7(8)6(2)5-9-3/h2,4-5H2,1,3H3
InChIKeyRDAQSWICNVTIDS-UHFFFAOYSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
2-aminoethyl 2-(methoxymethyl)prop-2-enoate
CID 174463853
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
CID 87600703
bis(ethyl 2-methylidenebutanoate);propanedioic acid
CID 87587562
ethyl 2,4-dimethylidene-5-oxohexanoate
CID 11116678
diethyl 4,4-dicyano-2,6-dimethylideneheptanedioate
CID 86168566
5-ethoxy-1-methoxy-4-methylidenehex-5-en-2-one
CID 130255923
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-methylprop-2-enoate
CID 130475774
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
CID 112586950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(methoxymethyl)prop-2-enoate (CID 20770134) is ethyl 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OCC.
What is the InChIKey of ethyl 2-(methoxymethyl)prop-2-enoate?
The InChIKey is RDAQSWICNVTIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-10-7(8)6(2)5-9-3/h2,4-5H2,1,3H3.
What are the key properties of ethyl 2-(methoxymethyl)prop-2-enoate?
ethyl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 20770134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).