diethyl 2-(bromomethylidene)pentanedioate

C10H15BrO4 — CID 71342666

IUPACdiethyl 2-(bromomethylidene)pentanedioate
SMILESCCOC(=O)CCC(=CBr)C(=O)OCC
InChIInChI=1S/C10H15BrO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h7H,3-6H2,1-2H3
InChIKeyTWQXPJGJUBIRCU-UHFFFAOYSA-N
MW279.13 g/mol
LogP2.17
Rot. Bonds6

About diethyl 2-(bromomethylidene)pentanedioate

diethyl 2-(bromomethylidene)pentanedioate (PubChem CID 71342666) has the molecular formula C10H15BrO4 and a molecular weight of 279.13 g/mol. Its IUPAC name is diethyl 2-(bromomethylidene)pentanedioate.

Molecular Properties

Compound Namediethyl 2-(bromomethylidene)pentanedioate
PubChem CID71342666
Molecular FormulaC10H15BrO4
Molecular Weight279.13 g/mol
Exact Mass278.02
IUPAC Namediethyl 2-(bromomethylidene)pentanedioate
SMILESCCOC(=O)CCC(=CBr)C(=O)OCC
InChIInChI=1S/C10H15BrO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h7H,3-6H2,1-2H3
InChIKeyTWQXPJGJUBIRCU-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 52.17
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 2-(ethoxymethylidene)pentanedioate
CID 141443037
diethyl (2E)-2-pentylidenepentanedioate
CID 11043359
dimethyl (2E)-2-(bromomethylidene)pentanedioate
CID 11776917
diethyl hexanedioate
CID 160747628
diethyl (2Z)-2-ethylidenebutanedioate
CID 6377105
diethyl icosanedioate
CID 5058538
ethyl 3-bromo-2-(methoxymethoxymethyl)prop-2-enoate
CID 123837396
ethyl 3-bromo-2-iodoprop-2-enoate
CID 71382250
diethyl 4-ethylideneheptanedioate
CID 52912519
diethyl (2Z)-2-(hydroxymethylidene)butanedioate
CID 6003327
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 3-iodopropanoate
CID 10911297

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(bromomethylidene)pentanedioate?
The IUPAC name of diethyl 2-(bromomethylidene)pentanedioate (CID 71342666) is diethyl 2-(bromomethylidene)pentanedioate.
What is the SMILES notation for diethyl 2-(bromomethylidene)pentanedioate?
The canonical SMILES for diethyl 2-(bromomethylidene)pentanedioate is CCOC(=O)CCC(=CBr)C(=O)OCC.
What is the InChIKey of diethyl 2-(bromomethylidene)pentanedioate?
The InChIKey is TWQXPJGJUBIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h7H,3-6H2,1-2H3.
What are the key properties of diethyl 2-(bromomethylidene)pentanedioate?
diethyl 2-(bromomethylidene)pentanedioate has a molecular weight of 279.13 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(bromomethylidene)pentanedioate is sourced from PubChem (CID 71342666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).