bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate

C16H22Cl4O4Si2 — CID 101081557

IUPACbis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
SMILESC[Si](Cl)(Cl)CCCOC(=O)c1ccc(C(=O)OCCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C16H22Cl4O4Si2/c1-25(17,18)11-3-9-23-15(21)13-5-7-14(8-6-13)16(22)24-10-4-12-26(2,19)20/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFZDAUCXFWNTCPZ-UHFFFAOYSA-N
MW476.33 g/mol
LogP5.88
Rot. Bonds10

About bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate

bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate (PubChem CID 101081557) has the molecular formula C16H22Cl4O4Si2 and a molecular weight of 476.33 g/mol. Its IUPAC name is bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
PubChem CID101081557
Molecular FormulaC16H22Cl4O4Si2
Molecular Weight476.33 g/mol
Exact Mass473.98
IUPAC Namebis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
SMILESC[Si](Cl)(Cl)CCCOC(=O)c1ccc(C(=O)OCCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C16H22Cl4O4Si2/c1-25(17,18)11-3-9-23-15(21)13-5-7-14(8-6-13)16(22)24-10-4-12-26(2,19)20/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFZDAUCXFWNTCPZ-UHFFFAOYSA-N
XLogP5.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.33
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[difluoro(methyl)silyl]propyl benzoate
CID 174136195
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
CID 11502797
3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171
bis(4-chlorobutyl) benzene-1,4-dicarboxylate
CID 139952854
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
6-(4-carbonochloridoylbenzoyl)oxyhexyl 4-carbonochloridoylbenzoate
CID 101056754
3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
CID 70022386
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
CID 68839365
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391

Frequently Asked Questions

What is the IUPAC name of bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate?
The IUPAC name of bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate (CID 101081557) is bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate.
What is the SMILES notation for bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate?
The canonical SMILES for bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate is C[Si](Cl)(Cl)CCCOC(=O)c1ccc(C(=O)OCCC[Si](C)(Cl)Cl)cc1.
What is the InChIKey of bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate?
The InChIKey is FZDAUCXFWNTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl4O4Si2/c1-25(17,18)11-3-9-23-15(21)13-5-7-14(8-6-13)16(22)24-10-4-12-26(2,19)20/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate?
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate has a molecular weight of 476.33 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate is sourced from PubChem (CID 101081557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).