dimethoxymethane;methyl prop-2-enoate

C7H14O4 — CID 162245850

IUPACdimethoxymethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.COCOC
InChIInChI=1S/C4H6O2.C3H8O2/c1-3-4(5)6-2;1-4-3-5-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyZXHYVVUYGBHQTP-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.58
Rot. Bonds3

About dimethoxymethane;methyl prop-2-enoate

dimethoxymethane;methyl prop-2-enoate (PubChem CID 162245850) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is dimethoxymethane;methyl prop-2-enoate.

Molecular Properties

Compound Namedimethoxymethane;methyl prop-2-enoate
PubChem CID162245850
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namedimethoxymethane;methyl prop-2-enoate
SMILESC=CC(=O)OC.COCOC
InChIInChI=1S/C4H6O2.C3H8O2/c1-3-4(5)6-2;1-4-3-5-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyZXHYVVUYGBHQTP-UHFFFAOYSA-N
XLogP0.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

bis(methyl prop-2-enoate);propane
CID 160610529
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
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CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
dimethyltin;methyl prop-2-enoate
CID 174578648
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
chloroform;methyl prop-2-enoate
CID 123529405
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976

Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;methyl prop-2-enoate?
The IUPAC name of dimethoxymethane;methyl prop-2-enoate (CID 162245850) is dimethoxymethane;methyl prop-2-enoate.
What is the SMILES notation for dimethoxymethane;methyl prop-2-enoate?
The canonical SMILES for dimethoxymethane;methyl prop-2-enoate is C=CC(=O)OC.COCOC.
What is the InChIKey of dimethoxymethane;methyl prop-2-enoate?
The InChIKey is ZXHYVVUYGBHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H8O2/c1-3-4(5)6-2;1-4-3-5-2/h3H,1H2,2H3;3H2,1-2H3.
What are the key properties of dimethoxymethane;methyl prop-2-enoate?
dimethoxymethane;methyl prop-2-enoate has a molecular weight of 162.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;methyl prop-2-enoate is sourced from PubChem (CID 162245850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).