methoxymethyl prop-2-enoate

C5H8O3 — CID 14987130

IUPACmethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4-7-2/h3H,1,4H2,2H3
InChIKeySINFYWWJOCXYFD-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.32
Rot. Bonds3

About methoxymethyl prop-2-enoate

methoxymethyl prop-2-enoate (PubChem CID 14987130) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is methoxymethyl prop-2-enoate.

Molecular Properties

Compound Namemethoxymethyl prop-2-enoate
PubChem CID14987130
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namemethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC
InChIInChI=1S/C5H8O3/c1-3-5(6)8-4-7-2/h3H,1,4H2,2H3
InChIKeySINFYWWJOCXYFD-UHFFFAOYSA-N
XLogP0.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.32
H-Bond Donors ≤ 50
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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Related Compounds

Methyl Acrylate
CID 7294
Methyl prop-2-enoate--ethene (1/1)
CID 168289
Methane triacrylate
CID 14993667
1-Prop-2-enoyloxybutyl prop-2-enoate
CID 10241834
CID 12543543
CID 12543543
Propane triacrylate
CID 13709984
Allyloxymethyl acetate
CID 14955603
Methylene glycol bisacrylate
CID 15918993
Carbon monoxide;ethene;methyl prop-2-enoate
CID 16212795
Acrylate-carbon monoxide
CID 54148783
CID 58052062
CID 58052062
Methyl acrylate-d3
CID 59152835

Frequently Asked Questions

What is the IUPAC name of methoxymethyl prop-2-enoate?
The IUPAC name of methoxymethyl prop-2-enoate (CID 14987130) is methoxymethyl prop-2-enoate.
What is the SMILES notation for methoxymethyl prop-2-enoate?
The canonical SMILES for methoxymethyl prop-2-enoate is C=CC(=O)OCOC.
What is the InChIKey of methoxymethyl prop-2-enoate?
The InChIKey is SINFYWWJOCXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(6)8-4-7-2/h3H,1,4H2,2H3.
What are the key properties of methoxymethyl prop-2-enoate?
methoxymethyl prop-2-enoate has a molecular weight of 116.12 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl prop-2-enoate is sourced from PubChem (CID 14987130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).