ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate

C15H22O2Si — CID 135057916

IUPACethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
SMILESCCOC(=O)/C=C(\CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-5-13(12-15(16)17-6-2)18(3,4)14-10-8-7-9-11-14/h7-12H,5-6H2,1-4H3/b13-12+
InChIKeyLQAVOBQQDJIVRZ-OUKQBFOZSA-N
MW262.43 g/mol
LogP3.04
Rot. Bonds5

About ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate

ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate (PubChem CID 135057916) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
PubChem CID135057916
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Nameethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
SMILESCCOC(=O)/C=C(\CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-5-13(12-15(16)17-6-2)18(3,4)14-10-8-7-9-11-14/h7-12H,5-6H2,1-4H3/b13-12+
InChIKeyLQAVOBQQDJIVRZ-OUKQBFOZSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
octyl (Z)-3-[dimethyl(phenyl)silyl]but-2-enoate
CID 102185798
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate?
The IUPAC name of ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate (CID 135057916) is ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate.
What is the SMILES notation for ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate?
The canonical SMILES for ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate is CCOC(=O)/C=C(\CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate?
The InChIKey is LQAVOBQQDJIVRZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-5-13(12-15(16)17-6-2)18(3,4)14-10-8-7-9-11-14/h7-12H,5-6H2,1-4H3/b13-12+.
What are the key properties of ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate?
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate has a molecular weight of 262.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate is sourced from PubChem (CID 135057916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).