tert-butyl-dimethoxy-octadecylsilane

C24H52O2Si — CID 18990624

IUPACtert-butyl-dimethoxy-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C
InChIInChI=1S/C24H52O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-5,26-6)24(2,3)4/h7-23H2,1-6H3
InChIKeyIKLXAPHAPQMKMC-UHFFFAOYSA-N
MW400.76 g/mol
LogP8.78
Rot. Bonds19

About tert-butyl-dimethoxy-octadecylsilane

tert-butyl-dimethoxy-octadecylsilane (PubChem CID 18990624) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is tert-butyl-dimethoxy-octadecylsilane.

Molecular Properties

Compound Nametert-butyl-dimethoxy-octadecylsilane
PubChem CID18990624
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Nametert-butyl-dimethoxy-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C
InChIInChI=1S/C24H52O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-5,26-6)24(2,3)4/h7-23H2,1-6H3
InChIKeyIKLXAPHAPQMKMC-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.78
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-dimethoxy-octadecylsilane?
The IUPAC name of tert-butyl-dimethoxy-octadecylsilane (CID 18990624) is tert-butyl-dimethoxy-octadecylsilane.
What is the SMILES notation for tert-butyl-dimethoxy-octadecylsilane?
The canonical SMILES for tert-butyl-dimethoxy-octadecylsilane is CCCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethoxy-octadecylsilane?
The InChIKey is IKLXAPHAPQMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-5,26-6)24(2,3)4/h7-23H2,1-6H3.
What are the key properties of tert-butyl-dimethoxy-octadecylsilane?
tert-butyl-dimethoxy-octadecylsilane has a molecular weight of 400.76 g/mol, XLogP of 8.78, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethoxy-octadecylsilane is sourced from PubChem (CID 18990624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).