trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate

C15H26O5Si2 — CID 629939

IUPACtrimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate
SMILESCOc1cc(C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C
InChIInChI=1S/C15H26O5Si2/c1-17-12-9-11(15(16)20-22(6,7)8)10-13(18-2)14(12)19-21(3,4)5/h9-10H,1-8H3
InChIKeyKWOFGVXBWXVAJU-UHFFFAOYSA-N
MW342.54 g/mol
LogP3.91
Rot. Bonds6

About trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate

trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate (PubChem CID 629939) has the molecular formula C15H26O5Si2 and a molecular weight of 342.54 g/mol. Its IUPAC name is trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate.

Molecular Properties

Compound Nametrimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate
PubChem CID629939
Molecular FormulaC15H26O5Si2
Molecular Weight342.54 g/mol
Exact Mass342.13
IUPAC Nametrimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate
SMILESCOc1cc(C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C
InChIInChI=1S/C15H26O5Si2/c1-17-12-9-11(15(16)20-22(6,7)8)10-13(18-2)14(12)19-21(3,4)5/h9-10H,1-8H3
InChIKeyKWOFGVXBWXVAJU-UHFFFAOYSA-N
XLogP3.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid
CID 167740684
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate
CID 10416187
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate
CID 622785
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate?
The IUPAC name of trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate (CID 629939) is trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate.
What is the SMILES notation for trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate?
The canonical SMILES for trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate is COc1cc(C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate?
The InChIKey is KWOFGVXBWXVAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si2/c1-17-12-9-11(15(16)20-22(6,7)8)10-13(18-2)14(12)19-21(3,4)5/h9-10H,1-8H3.
What are the key properties of trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate?
trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate has a molecular weight of 342.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate is sourced from PubChem (CID 629939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).