diethyl 2,4-dimethylidenepentanedioate

C11H16O4 — CID 14223332

IUPACdiethyl 2,4-dimethylidenepentanedioate
SMILESC=C(CC(=C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H16O4/c1-5-14-10(12)8(3)7-9(4)11(13)15-6-2/h3-7H2,1-2H3
InChIKeyBYCVSRVVXMDHEW-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.62
Rot. Bonds6

About diethyl 2,4-dimethylidenepentanedioate

diethyl 2,4-dimethylidenepentanedioate (PubChem CID 14223332) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl 2,4-dimethylidenepentanedioate.

Molecular Properties

Compound Namediethyl 2,4-dimethylidenepentanedioate
PubChem CID14223332
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl 2,4-dimethylidenepentanedioate
SMILESC=C(CC(=C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H16O4/c1-5-14-10(12)8(3)7-9(4)11(13)15-6-2/h3-7H2,1-2H3
InChIKeyBYCVSRVVXMDHEW-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of diethyl 2,4-dimethylidenepentanedioate?
The IUPAC name of diethyl 2,4-dimethylidenepentanedioate (CID 14223332) is diethyl 2,4-dimethylidenepentanedioate.
What is the SMILES notation for diethyl 2,4-dimethylidenepentanedioate?
The canonical SMILES for diethyl 2,4-dimethylidenepentanedioate is C=C(CC(=C)C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2,4-dimethylidenepentanedioate?
The InChIKey is BYCVSRVVXMDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-14-10(12)8(3)7-9(4)11(13)15-6-2/h3-7H2,1-2H3.
What are the key properties of diethyl 2,4-dimethylidenepentanedioate?
diethyl 2,4-dimethylidenepentanedioate has a molecular weight of 212.24 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,4-dimethylidenepentanedioate is sourced from PubChem (CID 14223332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).