trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate

C17H30O6Si2 — CID 622785

IUPACtrimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate
SMILESCOc1cc(C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H30O6Si2/c1-19-13-10-12(11-14(20-2)16(13)21-3)15(22-24(4,5)6)17(18)23-25(7,8)9/h10-11,15H,1-9H3
InChIKeyURQQYPNDLURSKC-UHFFFAOYSA-N
MW386.59 g/mol
LogP3.98
Rot. Bonds8

About trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate

trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate (PubChem CID 622785) has the molecular formula C17H30O6Si2 and a molecular weight of 386.59 g/mol. Its IUPAC name is trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate
PubChem CID622785
Molecular FormulaC17H30O6Si2
Molecular Weight386.59 g/mol
Exact Mass386.16
IUPAC Nametrimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate
SMILESCOc1cc(C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H30O6Si2/c1-19-13-10-12(11-14(20-2)16(13)21-3)15(22-24(4,5)6)17(18)23-25(7,8)9/h10-11,15H,1-9H3
InChIKeyURQQYPNDLURSKC-UHFFFAOYSA-N
XLogP3.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
(2R)-3-methyl-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 93182014
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 43559200
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
4-chloro-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 67729285
trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate
CID 629939

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate?
The IUPAC name of trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate (CID 622785) is trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate.
What is the SMILES notation for trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate?
The canonical SMILES for trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate is COc1cc(C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc(OC)c1OC.
What is the InChIKey of trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate?
The InChIKey is URQQYPNDLURSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6Si2/c1-19-13-10-12(11-14(20-2)16(13)21-3)15(22-24(4,5)6)17(18)23-25(7,8)9/h10-11,15H,1-9H3.
What are the key properties of trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate?
trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate has a molecular weight of 386.59 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate is sourced from PubChem (CID 622785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).