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

C10H15BrO3 — CID 11587002

IUPACethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OCCC1(Br)CC
InChIInChI=1S/C10H15BrO3/c1-3-10(11)5-6-14-8(10)7-9(12)13-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyYKFNRMPZAMEXTA-BQYQJAHWSA-N
MW263.13 g/mol
LogP2.40
Rot. Bonds3

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

ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (PubChem CID 11587002) has the molecular formula C10H15BrO3 and a molecular weight of 263.13 g/mol. Its IUPAC name is ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
PubChem CID11587002
Molecular FormulaC10H15BrO3
Molecular Weight263.13 g/mol
Exact Mass262.02
IUPAC Nameethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OCCC1(Br)CC
InChIInChI=1S/C10H15BrO3/c1-3-10(11)5-6-14-8(10)7-9(12)13-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyYKFNRMPZAMEXTA-BQYQJAHWSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.40
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 (2E)-2-(3-bromooxolan-2-ylidene)acetate
CID 11543319
ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11667298
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-(3-ethyloxolan-2-ylidene)acetate
CID 11593550
ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11624296
ethyl (2E)-2-(3-bromo-3-butyloxolan-2-ylidene)acetate
CID 134970428
methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate
CID 11171218
ethyl (2E)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate
CID 11681638
ethyl (2Z)-2-bromo-2-(3-bromo-5-ethenyloxolan-2-ylidene)acetate
CID 11667262
methyl (2E)-2-[(4S,5S)-4,5-dimethyloxolan-2-ylidene]acetate
CID 101156888

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate (CID 11587002) is ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate is CCOC(=O)/C=C1/OCCC1(Br)CC.
What is the InChIKey of ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
The InChIKey is YKFNRMPZAMEXTA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15BrO3/c1-3-10(11)5-6-14-8(10)7-9(12)13-4-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate?
ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate has a molecular weight of 263.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11587002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).