ethyl 3,4-dibromo-2-methylidenebutanoate

C7H10Br2O2 — CID 19901889

IUPACethyl 3,4-dibromo-2-methylidenebutanoate
SMILESC=C(C(=O)OCC)C(Br)CBr
InChIInChI=1S/C7H10Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h6H,2-4H2,1H3
InChIKeyOPXYAPUVNYAPGZ-UHFFFAOYSA-N
MW285.96 g/mol
LogP2.26
Rot. Bonds4

About ethyl 3,4-dibromo-2-methylidenebutanoate

ethyl 3,4-dibromo-2-methylidenebutanoate (PubChem CID 19901889) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is ethyl 3,4-dibromo-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 3,4-dibromo-2-methylidenebutanoate
PubChem CID19901889
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Nameethyl 3,4-dibromo-2-methylidenebutanoate
SMILESC=C(C(=O)OCC)C(Br)CBr
InChIInChI=1S/C7H10Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h6H,2-4H2,1H3
InChIKeyOPXYAPUVNYAPGZ-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dibromo-2-methylidenebutanoate?
The IUPAC name of ethyl 3,4-dibromo-2-methylidenebutanoate (CID 19901889) is ethyl 3,4-dibromo-2-methylidenebutanoate.
What is the SMILES notation for ethyl 3,4-dibromo-2-methylidenebutanoate?
The canonical SMILES for ethyl 3,4-dibromo-2-methylidenebutanoate is C=C(C(=O)OCC)C(Br)CBr.
What is the InChIKey of ethyl 3,4-dibromo-2-methylidenebutanoate?
The InChIKey is OPXYAPUVNYAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h6H,2-4H2,1H3.
What are the key properties of ethyl 3,4-dibromo-2-methylidenebutanoate?
ethyl 3,4-dibromo-2-methylidenebutanoate has a molecular weight of 285.96 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dibromo-2-methylidenebutanoate is sourced from PubChem (CID 19901889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).