methoxymethyl propanoate

C5H10O3 — CID 11228781

IUPACmethoxymethyl propanoate
SMILESCCC(=O)OCOC
InChIInChI=1S/C5H10O3/c1-3-5(6)8-4-7-2/h3-4H2,1-2H3
InChIKeyDKJCSMHIPYRALV-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.54
Rot. Bonds3

About methoxymethyl propanoate

methoxymethyl propanoate (PubChem CID 11228781) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methoxymethyl propanoate.

Molecular Properties

Compound Namemethoxymethyl propanoate
PubChem CID11228781
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethoxymethyl propanoate
SMILESCCC(=O)OCOC
InChIInChI=1S/C5H10O3/c1-3-5(6)8-4-7-2/h3-4H2,1-2H3
InChIKeyDKJCSMHIPYRALV-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl propanoate?
The IUPAC name of methoxymethyl propanoate (CID 11228781) is methoxymethyl propanoate.
What is the SMILES notation for methoxymethyl propanoate?
The canonical SMILES for methoxymethyl propanoate is CCC(=O)OCOC.
What is the InChIKey of methoxymethyl propanoate?
The InChIKey is DKJCSMHIPYRALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-5(6)8-4-7-2/h3-4H2,1-2H3.
What are the key properties of methoxymethyl propanoate?
methoxymethyl propanoate has a molecular weight of 118.13 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl propanoate is sourced from PubChem (CID 11228781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).