2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate

C19H30O6Si — CID 91694142

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
SMILESCOCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O6Si/c1-19(2,3)26(5,6)25-18(21)16-10-8-7-9-15(16)17(20)24-14-13-23-12-11-22-4/h7-10H,11-14H2,1-6H3
InChIKeyLLDGLMXOFJGHRA-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.67
Rot. Bonds9

About 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate

2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate (PubChem CID 91694142) has the molecular formula C19H30O6Si and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
PubChem CID91694142
Molecular FormulaC19H30O6Si
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
SMILESCOCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O6Si/c1-19(2,3)26(5,6)25-18(21)16-10-8-7-9-15(16)17(20)24-14-13-23-12-11-22-4/h7-10H,11-14H2,1-6H3
InChIKeyLLDGLMXOFJGHRA-UHFFFAOYSA-N
XLogP3.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
2-O-[tert-butyl(dimethyl)silyl] 1-O-hexyl benzene-1,2-dicarboxylate
CID 91735887
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
[tert-butyl(dimethyl)silyl] 2-sulfanylbenzoate
CID 554841
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-methoxyethyl 2-chlorosulfonylbenzoate
CID 11572692
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836
[tert-butyl(dimethyl)silyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 91694127
[tert-butyl(dimethyl)silyl] 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694132
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568

Frequently Asked Questions

What is the IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate (CID 91694142) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate is COCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The InChIKey is LLDGLMXOFJGHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O6Si/c1-19(2,3)26(5,6)25-18(21)16-10-8-7-9-15(16)17(20)24-14-13-23-12-11-22-4/h7-10H,11-14H2,1-6H3.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate has a molecular weight of 382.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 91694142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).