diethyl 2-methylidene-4-oxopentanedioate

C10H14O5 — CID 155619935

IUPACdiethyl 2-methylidene-4-oxopentanedioate
SMILESC=C(CC(=O)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-4-14-9(12)7(3)6-8(11)10(13)15-5-2/h3-6H2,1-2H3
InChIKeyFIGACHKIHXKEOG-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds6

About diethyl 2-methylidene-4-oxopentanedioate

diethyl 2-methylidene-4-oxopentanedioate (PubChem CID 155619935) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is diethyl 2-methylidene-4-oxopentanedioate.

Molecular Properties

Compound Namediethyl 2-methylidene-4-oxopentanedioate
PubChem CID155619935
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namediethyl 2-methylidene-4-oxopentanedioate
SMILESC=C(CC(=O)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-4-14-9(12)7(3)6-8(11)10(13)15-5-2/h3-6H2,1-2H3
InChIKeyFIGACHKIHXKEOG-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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,5-Diethyl 2-methylidenepentanedioate
CID 12200711
Ethyl 2-methylene-4-oxopentanoate
CID 643168
4-Pentenoic acid, 4-methoxycarbonyl-, isopropyl ester
CID 538644
Diethyl 2,4-dimethylidenepentanedioate
CID 14223332
Pentanedioic acid, 2-methylene-, dibutyl ester
CID 11086370
Diethyl 3-methylidene-2-oxopentanedioate
CID 15117526
Diethyl 3-methylidene-2,4-dioxopentanedioate
CID 54229236
Acetyl 5-acetyloxy-2-methylidenepentanoate
CID 57312149
2-Oxopropyl 2-methylidene-4-oxopentanoate
CID 57312417
[1-(4-Methoxybutoxy)-1-oxopropan-2-yl] 2-methylidene-4-oxopentanoate
CID 59648747
5-Ethoxy-2-methylidene-4,5-dioxopentanoic acid
CID 87224646
Ethyl 5-acetyloxy-2-methylidene-4-oxopentanoate
CID 87392355

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methylidene-4-oxopentanedioate?
The IUPAC name of diethyl 2-methylidene-4-oxopentanedioate (CID 155619935) is diethyl 2-methylidene-4-oxopentanedioate.
What is the SMILES notation for diethyl 2-methylidene-4-oxopentanedioate?
The canonical SMILES for diethyl 2-methylidene-4-oxopentanedioate is C=C(CC(=O)C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-methylidene-4-oxopentanedioate?
The InChIKey is FIGACHKIHXKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-14-9(12)7(3)6-8(11)10(13)15-5-2/h3-6H2,1-2H3.
What are the key properties of diethyl 2-methylidene-4-oxopentanedioate?
diethyl 2-methylidene-4-oxopentanedioate 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 diethyl 2-methylidene-4-oxopentanedioate is sourced from PubChem (CID 155619935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).