bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate

C20H34O6Si2 — CID 11502797

IUPACbis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
SMILESC[Si](C)(C)OCCCOC(=O)c1ccc(C(=O)OCCCO[Si](C)(C)C)cc1
InChIInChI=1S/C20H34O6Si2/c1-27(2,3)25-15-7-13-23-19(21)17-9-11-18(12-10-17)20(22)24-14-8-16-26-28(4,5)6/h9-12H,7-8,13-16H2,1-6H3
InChIKeyDRPSDGSJGWOYTO-UHFFFAOYSA-N
MW426.66 g/mol
LogP4.48
Rot. Bonds12

About bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate

bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate (PubChem CID 11502797) has the molecular formula C20H34O6Si2 and a molecular weight of 426.66 g/mol. Its IUPAC name is bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
PubChem CID11502797
Molecular FormulaC20H34O6Si2
Molecular Weight426.66 g/mol
Exact Mass426.19
IUPAC Namebis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
SMILESC[Si](C)(C)OCCCOC(=O)c1ccc(C(=O)OCCCO[Si](C)(C)C)cc1
InChIInChI=1S/C20H34O6Si2/c1-27(2,3)25-15-7-13-23-19(21)17-9-11-18(12-10-17)20(22)24-14-8-16-26-28(4,5)6/h9-12H,7-8,13-16H2,1-6H3
InChIKeyDRPSDGSJGWOYTO-UHFFFAOYSA-N
XLogP4.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.66
LogP ≤ 54.48
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'}

Analyze bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
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
3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
CID 70022386
3-[difluoro(methyl)silyl]propyl benzoate
CID 174136195
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
3-methoxypropyl 4-sulfanylbenzoate
CID 107018239
bis(4-chlorobutyl) benzene-1,4-dicarboxylate
CID 139952854
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069

Frequently Asked Questions

What is the IUPAC name of bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate?
The IUPAC name of bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate (CID 11502797) is bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate.
What is the SMILES notation for bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate?
The canonical SMILES for bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate is C[Si](C)(C)OCCCOC(=O)c1ccc(C(=O)OCCCO[Si](C)(C)C)cc1.
What is the InChIKey of bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate?
The InChIKey is DRPSDGSJGWOYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6Si2/c1-27(2,3)25-15-7-13-23-19(21)17-9-11-18(12-10-17)20(22)24-14-8-16-26-28(4,5)6/h9-12H,7-8,13-16H2,1-6H3.
What are the key properties of bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate?
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate has a molecular weight of 426.66 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate is sourced from PubChem (CID 11502797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).