methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate

C22H28O3Si — CID 53492770

IUPACmethyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate
SMILESC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C22H28O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16H,17H2,1-5H3/b18-6+
InChIKeyYLGQYGDEHVMBSB-NGYBGAFCSA-N
MW368.55 g/mol
LogP3.68
Rot. Bonds6

About methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate

methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate (PubChem CID 53492770) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate
PubChem CID53492770
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Namemethyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate
SMILESC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C22H28O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16H,17H2,1-5H3/b18-6+
InChIKeyYLGQYGDEHVMBSB-NGYBGAFCSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.68
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

3-((Tert-butyldiphenylsilyl)oxy)propanoic acid
CID 12105094
2-Propenoic acid, 2-methyl-, (dimethylphenylsilyl)methyl ester
CID 22486740
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (S)-
CID 10991787
Methyl (R)-3-((tert-butyldiphenylsilyl)oxy)-2-methylpropanoate
CID 11121845
ethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enoate
CID 44134231
methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
CID 10358911
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10883073
ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
CID 11166530
Propanedioic acid, [(dimethylphenylsilyl)methylene]-, diethyl ester
CID 11370227
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
CID 11782738
methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
CID 15681861
methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enoate
CID 102512030

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate?
The IUPAC name of methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate (CID 53492770) is methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate.
What is the SMILES notation for methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate?
The canonical SMILES for methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate is C/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate?
The InChIKey is YLGQYGDEHVMBSB-NGYBGAFCSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16H,17H2,1-5H3/b18-6+.
What are the key properties of methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate?
methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate has a molecular weight of 368.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate is sourced from PubChem (CID 53492770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).