diethyl 2-(2-ethoxyethylidene)propanedioate

C11H18O5 — CID 54239244

IUPACdiethyl 2-(2-ethoxyethylidene)propanedioate
SMILESCCOCC=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-4-14-8-7-9(10(12)15-5-2)11(13)16-6-3/h7H,4-6,8H2,1-3H3
InChIKeyQOUZUBHCEGOGHG-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.08
Rot. Bonds7

About diethyl 2-(2-ethoxyethylidene)propanedioate

diethyl 2-(2-ethoxyethylidene)propanedioate (PubChem CID 54239244) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is diethyl 2-(2-ethoxyethylidene)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-ethoxyethylidene)propanedioate
PubChem CID54239244
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namediethyl 2-(2-ethoxyethylidene)propanedioate
SMILESCCOCC=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-4-14-8-7-9(10(12)15-5-2)11(13)16-6-3/h7H,4-6,8H2,1-3H3
InChIKeyQOUZUBHCEGOGHG-UHFFFAOYSA-N
XLogP1.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(3-oxopropylidene)propanedioate
CID 24973386
acetylene;diethyl 2-ethylidenepropanedioate
CID 90822746
diethyl 2-(2-nitroethylidene)propanedioate
CID 174558606
4,6-diethoxyhex-4-en-2-one
CID 151227780
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
diethyl 2-(methoxymethylidene)propanedioate
CID 3016162
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
diethyl 2-(5-chloropentylidene)propanedioate
CID 15632904
CID 159370772
CID 159370772
methyl 4-ethoxy-2-ethylbut-2-enoate
CID 77100412
diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
CID 13114146
ethyl 2-carbamoylhex-2-enoate
CID 90691154

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-ethoxyethylidene)propanedioate?
The IUPAC name of diethyl 2-(2-ethoxyethylidene)propanedioate (CID 54239244) is diethyl 2-(2-ethoxyethylidene)propanedioate.
What is the SMILES notation for diethyl 2-(2-ethoxyethylidene)propanedioate?
The canonical SMILES for diethyl 2-(2-ethoxyethylidene)propanedioate is CCOCC=C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-ethoxyethylidene)propanedioate?
The InChIKey is QOUZUBHCEGOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-14-8-7-9(10(12)15-5-2)11(13)16-6-3/h7H,4-6,8H2,1-3H3.
What are the key properties of diethyl 2-(2-ethoxyethylidene)propanedioate?
diethyl 2-(2-ethoxyethylidene)propanedioate has a molecular weight of 230.26 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-ethoxyethylidene)propanedioate is sourced from PubChem (CID 54239244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).