dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane

C22H50O3Si2 — CID 91721182

IUPACdodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C22H50O3Si2/c1-8-10-12-13-14-15-16-17-18-19-21-23-26(4,5)25-27(6,7)24-22(3)20-11-9-2/h22H,8-21H2,1-7H3
InChIKeyYPBHZCQUEZETOX-UHFFFAOYSA-N
MW418.81 g/mol
LogP7.94
Rot. Bonds19

About dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane

dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91721182) has the molecular formula C22H50O3Si2 and a molecular weight of 418.81 g/mol. Its IUPAC name is dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namedodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91721182
Molecular FormulaC22H50O3Si2
Molecular Weight418.81 g/mol
Exact Mass418.33
IUPAC Namedodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C22H50O3Si2/c1-8-10-12-13-14-15-16-17-18-19-21-23-26(4,5)25-27(6,7)24-22(3)20-11-9-2/h22H,8-21H2,1-7H3
InChIKeyYPBHZCQUEZETOX-UHFFFAOYSA-N
XLogP7.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (CID 91721182) is dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC.
What is the InChIKey of dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is YPBHZCQUEZETOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O3Si2/c1-8-10-12-13-14-15-16-17-18-19-21-23-26(4,5)25-27(6,7)24-22(3)20-11-9-2/h22H,8-21H2,1-7H3.
What are the key properties of dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 418.81 g/mol, XLogP of 7.94, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91721182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).