tert-butyl-hexadecyl-dimethoxysilane

C22H48O2Si — CID 18990607

IUPACtert-butyl-hexadecyl-dimethoxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C
InChIInChI=1S/C22H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(23-5,24-6)22(2,3)4/h7-21H2,1-6H3
InChIKeyHRYAFOFIPVEKIN-UHFFFAOYSA-N
MW372.71 g/mol
LogP8.00
Rot. Bonds17

About tert-butyl-hexadecyl-dimethoxysilane

tert-butyl-hexadecyl-dimethoxysilane (PubChem CID 18990607) has the molecular formula C22H48O2Si and a molecular weight of 372.71 g/mol. Its IUPAC name is tert-butyl-hexadecyl-dimethoxysilane.

Molecular Properties

Compound Nametert-butyl-hexadecyl-dimethoxysilane
PubChem CID18990607
Molecular FormulaC22H48O2Si
Molecular Weight372.71 g/mol
Exact Mass372.34
IUPAC Nametert-butyl-hexadecyl-dimethoxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C
InChIInChI=1S/C22H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(23-5,24-6)22(2,3)4/h7-21H2,1-6H3
InChIKeyHRYAFOFIPVEKIN-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 58.00
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 tert-butyl-hexadecyl-dimethoxysilane?
The IUPAC name of tert-butyl-hexadecyl-dimethoxysilane (CID 18990607) is tert-butyl-hexadecyl-dimethoxysilane.
What is the SMILES notation for tert-butyl-hexadecyl-dimethoxysilane?
The canonical SMILES for tert-butyl-hexadecyl-dimethoxysilane is CCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C.
What is the InChIKey of tert-butyl-hexadecyl-dimethoxysilane?
The InChIKey is HRYAFOFIPVEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(23-5,24-6)22(2,3)4/h7-21H2,1-6H3.
What are the key properties of tert-butyl-hexadecyl-dimethoxysilane?
tert-butyl-hexadecyl-dimethoxysilane has a molecular weight of 372.71 g/mol, XLogP of 8.00, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hexadecyl-dimethoxysilane is sourced from PubChem (CID 18990607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).