methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate

C17H26O4Si — CID 50992564

IUPACmethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(O[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C17H26O4Si/c1-17(2,3)22(6,7)21-14-10-8-9-13(16(14)20-5)11-12-15(18)19-4/h8-12H,1-7H3/b12-11+
InChIKeyLFZWXDMRONACDD-VAWYXSNFSA-N
MW322.48 g/mol
LogP4.27
Rot. Bonds5

About methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate

methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate (PubChem CID 50992564) has the molecular formula C17H26O4Si and a molecular weight of 322.48 g/mol. Its IUPAC name is methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate
PubChem CID50992564
Molecular FormulaC17H26O4Si
Molecular Weight322.48 g/mol
Exact Mass322.16
IUPAC Namemethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(O[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C17H26O4Si/c1-17(2,3)22(6,7)21-14-10-8-9-13(16(14)20-5)11-12-15(18)19-4/h8-12H,1-7H3/b12-11+
InChIKeyLFZWXDMRONACDD-VAWYXSNFSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.27
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 8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-oxooct-7-enoate
CID 68710702
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 9491470
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 9491471
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]ethanol
CID 146166950
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
methyl (E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoate
CID 122514319
methyl (E)-3-(4-bromo-2-methoxy-3-methylphenyl)prop-2-enoate
CID 145178464
(6-bromonaphthalen-2-yl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7927821
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
methyl 3-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)prop-2-enoate
CID 87113568
(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate (CID 50992564) is methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate is COC(=O)/C=C/c1cccc(O[Si](C)(C)C(C)(C)C)c1OC.
What is the InChIKey of methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate?
The InChIKey is LFZWXDMRONACDD-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26O4Si/c1-17(2,3)22(6,7)21-14-10-8-9-13(16(14)20-5)11-12-15(18)19-4/h8-12H,1-7H3/b12-11+.
What are the key properties of methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate?
methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate has a molecular weight of 322.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 50992564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).