methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate

C24H32O4Si — CID 134937787

IUPACmethyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate
SMILESCOC/C(C(=O)OC)=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-19(22(18-26-5)23(25)27-6)17-28-29(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,17-18H2,1-6H3/b22-19-
InChIKeyIJLHFACWLRDAKG-QOCHGBHMSA-N
MW412.60 g/mol
LogP3.70
Rot. Bonds8

About methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate

methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate (PubChem CID 134937787) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate
PubChem CID134937787
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Namemethyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate
SMILESCOC/C(C(=O)OC)=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-19(22(18-26-5)23(25)27-6)17-28-29(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,17-18H2,1-6H3/b22-19-
InChIKeyIJLHFACWLRDAKG-QOCHGBHMSA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (R)-3-((tert-butyldiphenylsilyl)oxy)-2-methylpropanoate
CID 11121845
ethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enoate
CID 44134231
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
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
ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
CID 11417698
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
CID 11726542
5-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one
CID 25008944
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
Dihydroxy(diphenyl)silane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 161878353
(Diphenylsilylene)bis(oxy-2,1-ethanediyl) bismethacrylate
CID 87093

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate (CID 134937787) is methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate is COC/C(C(=O)OC)=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate?
The InChIKey is IJLHFACWLRDAKG-QOCHGBHMSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-19(22(18-26-5)23(25)27-6)17-28-29(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,17-18H2,1-6H3/b22-19-.
What are the key properties of methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate?
methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate has a molecular weight of 412.60 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate is sourced from PubChem (CID 134937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).