ethyl 5,5-diethoxy-3-oxopentanoate

C11H20O5 — CID 12765663

IUPACethyl 5,5-diethoxy-3-oxopentanoate
SMILESCCOC(=O)CC(=O)CC(OCC)OCC
InChIInChI=1S/C11H20O5/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h11H,4-8H2,1-3H3
InChIKeyMEUWDIPNEGSWNH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds9

About ethyl 5,5-diethoxy-3-oxopentanoate

ethyl 5,5-diethoxy-3-oxopentanoate (PubChem CID 12765663) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 5,5-diethoxy-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 5,5-diethoxy-3-oxopentanoate
PubChem CID12765663
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 5,5-diethoxy-3-oxopentanoate
SMILESCCOC(=O)CC(=O)CC(OCC)OCC
InChIInChI=1S/C11H20O5/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h11H,4-8H2,1-3H3
InChIKeyMEUWDIPNEGSWNH-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 ethyl 5,5-diethoxy-3-oxopentanoate?
The IUPAC name of ethyl 5,5-diethoxy-3-oxopentanoate (CID 12765663) is ethyl 5,5-diethoxy-3-oxopentanoate.
What is the SMILES notation for ethyl 5,5-diethoxy-3-oxopentanoate?
The canonical SMILES for ethyl 5,5-diethoxy-3-oxopentanoate is CCOC(=O)CC(=O)CC(OCC)OCC.
What is the InChIKey of ethyl 5,5-diethoxy-3-oxopentanoate?
The InChIKey is MEUWDIPNEGSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-14-10(13)7-9(12)8-11(15-5-2)16-6-3/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 5,5-diethoxy-3-oxopentanoate?
ethyl 5,5-diethoxy-3-oxopentanoate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diethoxy-3-oxopentanoate is sourced from PubChem (CID 12765663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).