1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate

C17H26O5Si — CID 91735685

IUPAC1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H26O5Si/c1-5-6-11-20-12-13-21-16(18)14-9-7-8-10-15(14)17(19)22-23(2,3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKeyAEMHMCNBXYFYNU-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.65
Rot. Bonds9

About 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate

1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate (PubChem CID 91735685) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
PubChem CID91735685
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H26O5Si/c1-5-6-11-20-12-13-21-16(18)14-9-7-8-10-15(14)17(19)22-23(2,3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKeyAEMHMCNBXYFYNU-UHFFFAOYSA-N
XLogP3.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

dibutyl benzene-1,2-dicarboxylate
CID 69108201
2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid
CID 141493838
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
CID 21326814
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
2-nonoxyethyl 2-methylbenzoate
CID 140608638
1-O-decyl 2-O-[2-(2-hydroxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 170841279
2-hexoxyethyl 2-propylbenzoate
CID 140608686
2-butoxyethyl phenanthrene-4-carboxylate
CID 86199783
2-butoxyethyl 3-aminonaphthalene-2-carboxylate
CID 61302466
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 91694142

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate (CID 91735685) is 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate is CCCCOCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The InChIKey is AEMHMCNBXYFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-5-6-11-20-12-13-21-16(18)14-9-7-8-10-15(14)17(19)22-23(2,3)4/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate has a molecular weight of 338.48 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 91735685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).