methoxymethane;prop-2-enoic acid

C5H10O3 — CID 22665045

IUPACmethoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC
InChIInChI=1S/C3H4O2.C2H6O/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);1-2H3
InChIKeyFCFDFAVHZMMDEO-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.52
Rot. Bonds1

About methoxymethane;prop-2-enoic acid

methoxymethane;prop-2-enoic acid (PubChem CID 22665045) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methoxymethane;prop-2-enoic acid.

Molecular Properties

Compound Namemethoxymethane;prop-2-enoic acid
PubChem CID22665045
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC
InChIInChI=1S/C3H4O2.C2H6O/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);1-2H3
InChIKeyFCFDFAVHZMMDEO-UHFFFAOYSA-N
XLogP0.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanol;prop-2-enoic acid
CID 159043362
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205
Acrylic acid potassium salt
CID 87124626
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
azane;prop-2-enoic acid
CID 173158019

Frequently Asked Questions

What is the IUPAC name of methoxymethane;prop-2-enoic acid?
The IUPAC name of methoxymethane;prop-2-enoic acid (CID 22665045) is methoxymethane;prop-2-enoic acid.
What is the SMILES notation for methoxymethane;prop-2-enoic acid?
The canonical SMILES for methoxymethane;prop-2-enoic acid is C=CC(=O)O.COC.
What is the InChIKey of methoxymethane;prop-2-enoic acid?
The InChIKey is FCFDFAVHZMMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H6O/c1-2-3(4)5;1-3-2/h2H,1H2,(H,4,5);1-2H3.
What are the key properties of methoxymethane;prop-2-enoic acid?
methoxymethane;prop-2-enoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;prop-2-enoic acid is sourced from PubChem (CID 22665045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).