ethyl 2-formyloxypropanoate

C6H10O4 — CID 14104142

IUPACethyl 2-formyloxypropanoate
SMILESCCOC(=O)C(C)OC=O
InChIInChI=1S/C6H10O4/c1-3-9-6(8)5(2)10-4-7/h4-5H,3H2,1-2H3
InChIKeyAHQYKPUMWRHYQC-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.11
Rot. Bonds4

About ethyl 2-formyloxypropanoate

ethyl 2-formyloxypropanoate (PubChem CID 14104142) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is ethyl 2-formyloxypropanoate.

Molecular Properties

Compound Nameethyl 2-formyloxypropanoate
PubChem CID14104142
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Nameethyl 2-formyloxypropanoate
SMILESCCOC(=O)C(C)OC=O
InChIInChI=1S/C6H10O4/c1-3-9-6(8)5(2)10-4-7/h4-5H,3H2,1-2H3
InChIKeyAHQYKPUMWRHYQC-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyloxypropanoate?
The IUPAC name of ethyl 2-formyloxypropanoate (CID 14104142) is ethyl 2-formyloxypropanoate.
What is the SMILES notation for ethyl 2-formyloxypropanoate?
The canonical SMILES for ethyl 2-formyloxypropanoate is CCOC(=O)C(C)OC=O.
What is the InChIKey of ethyl 2-formyloxypropanoate?
The InChIKey is AHQYKPUMWRHYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-9-6(8)5(2)10-4-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-formyloxypropanoate?
ethyl 2-formyloxypropanoate has a molecular weight of 146.14 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyloxypropanoate is sourced from PubChem (CID 14104142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).