tert-butyl-heptoxy-dimethylsilane

C13H30OSi — CID 529156

IUPACtert-butyl-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7-12H2,1-6H3
InChIKeySSKLQKJXKUELBH-UHFFFAOYSA-N
MW230.47 g/mol
LogP4.98
Rot. Bonds7

About tert-butyl-heptoxy-dimethylsilane

tert-butyl-heptoxy-dimethylsilane (PubChem CID 529156) has the molecular formula C13H30OSi and a molecular weight of 230.47 g/mol. Its IUPAC name is tert-butyl-heptoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-heptoxy-dimethylsilane
PubChem CID529156
Molecular FormulaC13H30OSi
Molecular Weight230.47 g/mol
Exact Mass230.21
IUPAC Nametert-butyl-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7-12H2,1-6H3
InChIKeySSKLQKJXKUELBH-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-heptoxy-dimethylsilane?
The IUPAC name of tert-butyl-heptoxy-dimethylsilane (CID 529156) is tert-butyl-heptoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-heptoxy-dimethylsilane?
The canonical SMILES for tert-butyl-heptoxy-dimethylsilane is CCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-heptoxy-dimethylsilane?
The InChIKey is SSKLQKJXKUELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h7-12H2,1-6H3.
What are the key properties of tert-butyl-heptoxy-dimethylsilane?
tert-butyl-heptoxy-dimethylsilane has a molecular weight of 230.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-heptoxy-dimethylsilane is sourced from PubChem (CID 529156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).