bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate

C20H46O6Si4 — CID 59345655

IUPACbis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate
SMILESC[SiH](C)O[Si](C)(C)CCCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C20H46O6Si4/c1-27(2)25-29(5,6)17-11-15-23-19(21)13-9-10-14-20(22)24-16-12-18-30(7,8)26-28(3)4/h27-28H,9-18H2,1-8H3
InChIKeyAALSRORTYVQZFI-UHFFFAOYSA-N
MW494.93 g/mol
LogP4.82
Rot. Bonds17

About bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate

bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate (PubChem CID 59345655) has the molecular formula C20H46O6Si4 and a molecular weight of 494.93 g/mol. Its IUPAC name is bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate.

Molecular Properties

Compound Namebis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate
PubChem CID59345655
Molecular FormulaC20H46O6Si4
Molecular Weight494.93 g/mol
Exact Mass494.24
IUPAC Namebis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate
SMILESC[SiH](C)O[Si](C)(C)CCCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C20H46O6Si4/c1-27(2)25-29(5,6)17-11-15-23-19(21)13-9-10-14-20(22)24-16-12-18-30(7,8)26-28(3)4/h27-28H,9-18H2,1-8H3
InChIKeyAALSRORTYVQZFI-UHFFFAOYSA-N
XLogP4.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.93
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate?
The IUPAC name of bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate (CID 59345655) is bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate.
What is the SMILES notation for bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate?
The canonical SMILES for bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate is C[SiH](C)O[Si](C)(C)CCCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[SiH](C)C.
What is the InChIKey of bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate?
The InChIKey is AALSRORTYVQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O6Si4/c1-27(2)25-29(5,6)17-11-15-23-19(21)13-9-10-14-20(22)24-16-12-18-30(7,8)26-28(3)4/h27-28H,9-18H2,1-8H3.
What are the key properties of bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate?
bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate has a molecular weight of 494.93 g/mol, XLogP of 4.82, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate is sourced from PubChem (CID 59345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).