tert-butyl-heptadecoxy-dimethylsilane

C23H50OSi — CID 6429824

IUPACtert-butyl-heptadecoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(5,6)23(2,3)4/h7-22H2,1-6H3
InChIKeyHOKXBFNSHMYFEY-UHFFFAOYSA-N
MW370.74 g/mol
LogP8.88
Rot. Bonds17

About tert-butyl-heptadecoxy-dimethylsilane

tert-butyl-heptadecoxy-dimethylsilane (PubChem CID 6429824) has the molecular formula C23H50OSi and a molecular weight of 370.74 g/mol. Its IUPAC name is tert-butyl-heptadecoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-heptadecoxy-dimethylsilane
PubChem CID6429824
Molecular FormulaC23H50OSi
Molecular Weight370.74 g/mol
Exact Mass370.36
IUPAC Nametert-butyl-heptadecoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(5,6)23(2,3)4/h7-22H2,1-6H3
InChIKeyHOKXBFNSHMYFEY-UHFFFAOYSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 58.88
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-heptadecoxy-dimethylsilane?
The IUPAC name of tert-butyl-heptadecoxy-dimethylsilane (CID 6429824) is tert-butyl-heptadecoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-heptadecoxy-dimethylsilane?
The canonical SMILES for tert-butyl-heptadecoxy-dimethylsilane is CCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-heptadecoxy-dimethylsilane?
The InChIKey is HOKXBFNSHMYFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(5,6)23(2,3)4/h7-22H2,1-6H3.
What are the key properties of tert-butyl-heptadecoxy-dimethylsilane?
tert-butyl-heptadecoxy-dimethylsilane has a molecular weight of 370.74 g/mol, XLogP of 8.88, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-heptadecoxy-dimethylsilane is sourced from PubChem (CID 6429824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).