dimethyl-(2-methylbutoxy)-octadecoxysilane

C25H54O2Si — CID 91744745

IUPACdimethyl-(2-methylbutoxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)OCC(C)CC
InChIInChI=1S/C25H54O2Si/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28(4,5)27-24-25(3)7-2/h25H,6-24H2,1-5H3
InChIKeyZOCKJIGDLLJUTH-UHFFFAOYSA-N
MW414.79 g/mol
LogP9.03
Rot. Bonds22

About dimethyl-(2-methylbutoxy)-octadecoxysilane

dimethyl-(2-methylbutoxy)-octadecoxysilane (PubChem CID 91744745) has the molecular formula C25H54O2Si and a molecular weight of 414.79 g/mol. Its IUPAC name is dimethyl-(2-methylbutoxy)-octadecoxysilane.

Molecular Properties

Compound Namedimethyl-(2-methylbutoxy)-octadecoxysilane
PubChem CID91744745
Molecular FormulaC25H54O2Si
Molecular Weight414.79 g/mol
Exact Mass414.39
IUPAC Namedimethyl-(2-methylbutoxy)-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)OCC(C)CC
InChIInChI=1S/C25H54O2Si/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28(4,5)27-24-25(3)7-2/h25H,6-24H2,1-5H3
InChIKeyZOCKJIGDLLJUTH-UHFFFAOYSA-N
XLogP9.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.79
LogP ≤ 59.03
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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Related Compounds

heptoxy-dimethyl-(2-methylpropoxy)silane
CID 91736684
docosoxy-dimethyl-(2-methylpropoxy)silane
CID 91745391
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
diethyl-hexoxy-(2-methylbutoxy)silane
CID 91738220
dodecoxy-(2-ethylhexoxy)-dimethylsilane
CID 91743791
heptoxy-dimethyl-(4-methylpentoxy)silane
CID 91739178
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434
trimethyl(22-methyltetracosoxy)silane
CID 91745133
trimethyl(20-methyldocosoxy)silane
CID 526068
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
dodecoxy-hexan-2-yloxy-dimethylsilane
CID 91741105

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylbutoxy)-octadecoxysilane?
The IUPAC name of dimethyl-(2-methylbutoxy)-octadecoxysilane (CID 91744745) is dimethyl-(2-methylbutoxy)-octadecoxysilane.
What is the SMILES notation for dimethyl-(2-methylbutoxy)-octadecoxysilane?
The canonical SMILES for dimethyl-(2-methylbutoxy)-octadecoxysilane is CCCCCCCCCCCCCCCCCCO[Si](C)(C)OCC(C)CC.
What is the InChIKey of dimethyl-(2-methylbutoxy)-octadecoxysilane?
The InChIKey is ZOCKJIGDLLJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O2Si/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28(4,5)27-24-25(3)7-2/h25H,6-24H2,1-5H3.
What are the key properties of dimethyl-(2-methylbutoxy)-octadecoxysilane?
dimethyl-(2-methylbutoxy)-octadecoxysilane has a molecular weight of 414.79 g/mol, XLogP of 9.03, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbutoxy)-octadecoxysilane is sourced from PubChem (CID 91744745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).