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

C10H14Br2O3 — CID 11667298

IUPACethyl (2Z)-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-FPLPWBNLSA-N
MW342.03 g/mol
LogP3.12
Rot. Bonds3

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

ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (PubChem CID 11667298) has the molecular formula C10H14Br2O3 and a molecular weight of 342.03 g/mol. Its IUPAC name is ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
PubChem CID11667298
Molecular FormulaC10H14Br2O3
Molecular Weight342.03 g/mol
Exact Mass339.93
IUPAC Nameethyl (2Z)-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-FPLPWBNLSA-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

propan-2-yl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
CID 11514317
ethyl (2E)-2-(3,3-dibromooxolan-2-ylidene)propanoate
CID 11515402
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
Methyl Z-bromo-(dihydrofuran-2-ylidene)acetate
CID 53472062
Acetic acid,2-bromo-2-(dihydro-2(3H)-furanylidene)-,ethyl ester,(2Z)-
CID 53472063
methyl (2E)-2-(3-bromo-3-methyloxolan-2-ylidene)acetate
CID 101398461
methyl (2Z)-2-bromo-2-(3-bromo-3-methyloxolan-2-ylidene)acetate
CID 134854550
ethyl (2E)-2-(3-bromo-3-propyloxolan-2-ylidene)acetate
CID 134970384
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
butyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
CID 134935207

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (CID 11667298) is ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-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 (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The InChIKey is ZOYAEAQDVYSTII-FPLPWBNLSA-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 (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
ethyl (2Z)-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 (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11667298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).