methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate

C15H22O2Si — CID 134988143

IUPACmethyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate
SMILESCOC(=O)CC/C(=C\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-17-15(16)11-10-14(18(2,3)4)12-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/b14-12+
InChIKeyCCOPNPPOCQDOBM-WYMLVPIESA-N
MW262.43 g/mol
LogP3.90
Rot. Bonds5

About methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate

methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate (PubChem CID 134988143) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate
PubChem CID134988143
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Namemethyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate
SMILESCOC(=O)CC/C(=C\c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-17-15(16)11-10-14(18(2,3)4)12-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/b14-12+
InChIKeyCCOPNPPOCQDOBM-WYMLVPIESA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methoxy-3-phenylprop-2-enoic acid
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CID 11020797
CID 159805914
CID 159805914
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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate?
The IUPAC name of methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate (CID 134988143) is methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate.
What is the SMILES notation for methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate?
The canonical SMILES for methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate is COC(=O)CC/C(=C\c1ccccc1)[Si](C)(C)C.
What is the InChIKey of methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate?
The InChIKey is CCOPNPPOCQDOBM-WYMLVPIESA-N. The full InChI is InChI=1S/C15H22O2Si/c1-17-15(16)11-10-14(18(2,3)4)12-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/b14-12+.
What are the key properties of methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate?
methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate has a molecular weight of 262.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate is sourced from PubChem (CID 134988143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).