tert-butyl-dimethyl-(2-methylhexadecoxy)silane

C23H50OSi — CID 6430233

IUPACtert-butyl-dimethyl-(2-methylhexadecoxy)silane
SMILESCCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-24-25(6,7)23(3,4)5/h22H,8-21H2,1-7H3
InChIKeyORDLHPUEPCXFGI-UHFFFAOYSA-N
MW370.74 g/mol
LogP8.74
Rot. Bonds16

About tert-butyl-dimethyl-(2-methylhexadecoxy)silane

tert-butyl-dimethyl-(2-methylhexadecoxy)silane (PubChem CID 6430233) has the molecular formula C23H50OSi and a molecular weight of 370.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylhexadecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylhexadecoxy)silane
PubChem CID6430233
Molecular FormulaC23H50OSi
Molecular Weight370.74 g/mol
Exact Mass370.36
IUPAC Nametert-butyl-dimethyl-(2-methylhexadecoxy)silane
SMILESCCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-24-25(6,7)23(3,4)5/h22H,8-21H2,1-7H3
InChIKeyORDLHPUEPCXFGI-UHFFFAOYSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 58.74
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-dimethyl-(2-methylhexadecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylhexadecoxy)silane (CID 6430233) is tert-butyl-dimethyl-(2-methylhexadecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylhexadecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylhexadecoxy)silane is CCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methylhexadecoxy)silane?
The InChIKey is ORDLHPUEPCXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-24-25(6,7)23(3,4)5/h22H,8-21H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(2-methylhexadecoxy)silane?
tert-butyl-dimethyl-(2-methylhexadecoxy)silane has a molecular weight of 370.74 g/mol, XLogP of 8.74, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylhexadecoxy)silane is sourced from PubChem (CID 6430233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).