ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate

C10H12Br2O3 — CID 11681638

IUPACethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate
SMILESC=CC1CC(Br)/C(=C(\Br)C(=O)OCC)O1
InChIInChI=1S/C10H12Br2O3/c1-3-6-5-7(11)9(15-6)8(12)10(13)14-4-2/h3,6-7H,1,4-5H2,2H3/b9-8+
InChIKeyYGIAAAYKHDCLDF-CMDGGOBGSA-N
MW340.01 g/mol
LogP2.89
Rot. Bonds3

About ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate

ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate (PubChem CID 11681638) has the molecular formula C10H12Br2O3 and a molecular weight of 340.01 g/mol. Its IUPAC name is ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate
PubChem CID11681638
Molecular FormulaC10H12Br2O3
Molecular Weight340.01 g/mol
Exact Mass337.92
IUPAC Nameethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate
SMILESC=CC1CC(Br)/C(=C(\Br)C(=O)OCC)O1
InChIInChI=1S/C10H12Br2O3/c1-3-6-5-7(11)9(15-6)8(12)10(13)14-4-2/h3,6-7H,1,4-5H2,2H3/b9-8+
InChIKeyYGIAAAYKHDCLDF-CMDGGOBGSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.01
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2E)-2-(3-bromooxolan-2-ylidene)acetate
CID 11543319
propan-2-yl (2E)-2-bromo-2-(3-bromooxolan-2-ylidene)acetate
CID 11544425
ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11587002
ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11667298
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 10877759
ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11624296
ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyloxolan-2-ylidene]acetate
CID 91266710
ethyl (2E)-2-bromo-2-(3-bromooxolan-2-ylidene)acetate
CID 11493358
propan-2-yl (2Z)-2-bromo-2-(3-bromooxolan-2-ylidene)acetate
CID 11674287
methyl (2E)-2-bromo-2-(3-bromooxolan-2-ylidene)acetate
CID 11702154
3-bromo-2-butyl-2H-furan-5-one
CID 15864905

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate (CID 11681638) is ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate is C=CC1CC(Br)/C(=C(\Br)C(=O)OCC)O1.
What is the InChIKey of ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate?
The InChIKey is YGIAAAYKHDCLDF-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12Br2O3/c1-3-6-5-7(11)9(15-6)8(12)10(13)14-4-2/h3,6-7H,1,4-5H2,2H3/b9-8+.
What are the key properties of ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate?
ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate has a molecular weight of 340.01 g/mol, XLogP of 2.89, 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-5-ethenyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11681638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).