diethyl 2-cyclopropylidenebutanedioate

C11H16O4 — CID 69133715

IUPACdiethyl 2-cyclopropylidenebutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)=C1CC1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h3-7H2,1-2H3
InChIKeyLTNTYYAZUHPZOJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.59
Rot. Bonds5

About diethyl 2-cyclopropylidenebutanedioate

diethyl 2-cyclopropylidenebutanedioate (PubChem CID 69133715) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl 2-cyclopropylidenebutanedioate.

Molecular Properties

Compound Namediethyl 2-cyclopropylidenebutanedioate
PubChem CID69133715
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl 2-cyclopropylidenebutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)=C1CC1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h3-7H2,1-2H3
InChIKeyLTNTYYAZUHPZOJ-UHFFFAOYSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
potassium;diethyl propanedioate;sulfanide
CID 159289328
butane;diethyl propanedioate
CID 87110467
diethyl (2Z)-2-ethylidenebutanedioate
CID 6377105
3-O-(3-ethoxy-3-oxopropanoyl) 1-O-ethyl propanedioate
CID 15707103
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
diethyl (2Z)-2-(hydroxymethylidene)butanedioate
CID 6003327
ethyl 2-(4-methylcyclohexylidene)propanoate
CID 11041686
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
silver ethyl 3-oxobutanoate
CID 158624543
chromium(2+);ethyl 3-oxobutanoate
CID 19859999

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclopropylidenebutanedioate?
The IUPAC name of diethyl 2-cyclopropylidenebutanedioate (CID 69133715) is diethyl 2-cyclopropylidenebutanedioate.
What is the SMILES notation for diethyl 2-cyclopropylidenebutanedioate?
The canonical SMILES for diethyl 2-cyclopropylidenebutanedioate is CCOC(=O)CC(C(=O)OCC)=C1CC1.
What is the InChIKey of diethyl 2-cyclopropylidenebutanedioate?
The InChIKey is LTNTYYAZUHPZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h3-7H2,1-2H3.
What are the key properties of diethyl 2-cyclopropylidenebutanedioate?
diethyl 2-cyclopropylidenebutanedioate has a molecular weight of 212.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclopropylidenebutanedioate is sourced from PubChem (CID 69133715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).