trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane

C23H52O2Si2 — CID 528978

IUPACtrimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H52O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25-27(5,6)7)22-24-26(2,3)4/h23H,8-22H2,1-7H3
InChIKeyXICQYVTWPKNSEP-UHFFFAOYSA-N
MW416.84 g/mol
LogP8.54
Rot. Bonds19

About trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane

trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane (PubChem CID 528978) has the molecular formula C23H52O2Si2 and a molecular weight of 416.84 g/mol. Its IUPAC name is trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane.

Molecular Properties

Compound Nametrimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane
PubChem CID528978
Molecular FormulaC23H52O2Si2
Molecular Weight416.84 g/mol
Exact Mass416.35
IUPAC Nametrimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H52O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25-27(5,6)7)22-24-26(2,3)4/h23H,8-22H2,1-7H3
InChIKeyXICQYVTWPKNSEP-UHFFFAOYSA-N
XLogP8.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane?
The IUPAC name of trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane (CID 528978) is trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane.
What is the SMILES notation for trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane?
The canonical SMILES for trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane is CCCCCCCCCCCCCCCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane?
The InChIKey is XICQYVTWPKNSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25-27(5,6)7)22-24-26(2,3)4/h23H,8-22H2,1-7H3.
What are the key properties of trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane?
trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane has a molecular weight of 416.84 g/mol, XLogP of 8.54, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-trimethylsilyloxyheptadecan-2-yloxy)silane is sourced from PubChem (CID 528978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).