ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate

C10H14Br2O3 — CID 11624296

IUPACethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1\OCCC1(Br)CC
InChIInChI=1S/C10H14Br2O3/c1-3-10(12)5-6-15-8(10)7(11)9(13)14-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyZOYAEAQDVYSTII-BQYQJAHWSA-N
MW342.03 g/mol
LogP3.12
Rot. Bonds3

About ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate

ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (PubChem CID 11624296) has the molecular formula C10H14Br2O3 and a molecular weight of 342.03 g/mol. Its IUPAC name is ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
PubChem CID11624296
Molecular FormulaC10H14Br2O3
Molecular Weight342.03 g/mol
Exact Mass339.93
IUPAC Nameethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1\OCCC1(Br)CC
InChIInChI=1S/C10H14Br2O3/c1-3-10(12)5-6-15-8(10)7(11)9(13)14-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyZOYAEAQDVYSTII-BQYQJAHWSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 3-(1,3-dioxol-4-yl)-2-oxopropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (CID 11624296) is ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate is CCOC(=O)/C(Br)=C1\OCCC1(Br)CC.
What is the InChIKey of ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The InChIKey is ZOYAEAQDVYSTII-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H14Br2O3/c1-3-10(12)5-6-15-8(10)7(11)9(13)14-4-2/h3-6H2,1-2H3/b8-7+.
What are the key properties of ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate has a molecular weight of 342.03 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11624296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).