ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate

C10H14O5 — CID 87392355

IUPACethyl 5-acetyloxy-2-methylidene-4-oxopentanoate
SMILESC=C(CC(=O)COC(C)=O)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-4-14-10(13)7(2)5-9(12)6-15-8(3)11/h2,4-6H2,1,3H3
InChIKeyMZODXUZLPXRPAB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds6

About ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate

ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate (PubChem CID 87392355) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-acetyloxy-2-methylidene-4-oxopentanoate
PubChem CID87392355
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 5-acetyloxy-2-methylidene-4-oxopentanoate
SMILESC=C(CC(=O)COC(C)=O)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-4-14-10(13)7(2)5-9(12)6-15-8(3)11/h2,4-6H2,1,3H3
InChIKeyMZODXUZLPXRPAB-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate?
The IUPAC name of ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate (CID 87392355) is ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate.
What is the SMILES notation for ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate?
The canonical SMILES for ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate is C=C(CC(=O)COC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate?
The InChIKey is MZODXUZLPXRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-14-10(13)7(2)5-9(12)6-15-8(3)11/h2,4-6H2,1,3H3.
What are the key properties of ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate?
ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate has a molecular weight of 214.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate is sourced from PubChem (CID 87392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).