ethoxymethyl acetate

C5H10O3 — CID 10877092

IUPACethoxymethyl acetate
SMILESCCOCOC(C)=O
InChIInChI=1S/C5H10O3/c1-3-7-4-8-5(2)6/h3-4H2,1-2H3
InChIKeyNDMXSCGMYOVVJE-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.54
Rot. Bonds3

About ethoxymethyl acetate

ethoxymethyl acetate (PubChem CID 10877092) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is ethoxymethyl acetate.

Molecular Properties

Compound Nameethoxymethyl acetate
PubChem CID10877092
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameethoxymethyl acetate
SMILESCCOCOC(C)=O
InChIInChI=1S/C5H10O3/c1-3-7-4-8-5(2)6/h3-4H2,1-2H3
InChIKeyNDMXSCGMYOVVJE-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxymethyl acetate?
The IUPAC name of ethoxymethyl acetate (CID 10877092) is ethoxymethyl acetate.
What is the SMILES notation for ethoxymethyl acetate?
The canonical SMILES for ethoxymethyl acetate is CCOCOC(C)=O.
What is the InChIKey of ethoxymethyl acetate?
The InChIKey is NDMXSCGMYOVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-7-4-8-5(2)6/h3-4H2,1-2H3.
What are the key properties of ethoxymethyl acetate?
ethoxymethyl acetate 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 ethoxymethyl acetate is sourced from PubChem (CID 10877092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).