methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate

C13H18O3Si — CID 5377244

IUPACmethyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C13H18O3Si/c1-15-13(14)10-7-11-5-8-12(9-6-11)16-17(2,3)4/h5-10H,1-4H3/b10-7+
InChIKeyLGVIPPVQPDFMAY-JXMROGBWSA-N
MW250.37 g/mol
LogP3.09
Rot. Bonds4

About methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate

methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate (PubChem CID 5377244) has the molecular formula C13H18O3Si and a molecular weight of 250.37 g/mol. Its IUPAC name is methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
PubChem CID5377244
Molecular FormulaC13H18O3Si
Molecular Weight250.37 g/mol
Exact Mass250.10
IUPAC Namemethyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C13H18O3Si/c1-15-13(14)10-7-11-5-8-12(9-6-11)16-17(2,3)4/h5-10H,1-4H3/b10-7+
InChIKeyLGVIPPVQPDFMAY-JXMROGBWSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
CID 91735402
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
(E)-3-(4-bromophenyl)prop-2-enoic acid;methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 164965179

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate (CID 5377244) is methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate?
The InChIKey is LGVIPPVQPDFMAY-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18O3Si/c1-15-13(14)10-7-11-5-8-12(9-6-11)16-17(2,3)4/h5-10H,1-4H3/b10-7+.
What are the key properties of methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate?
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate has a molecular weight of 250.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate is sourced from PubChem (CID 5377244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).