diethoxy-hexadecan-2-yloxy-methylsilane

C21H46O3Si — CID 176915381

IUPACdiethoxy-hexadecan-2-yloxy-methylsilane
SMILESCCCCCCCCCCCCCCC(C)O[Si](C)(OCC)OCC
InChIInChI=1S/C21H46O3Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21(4)24-25(5,22-7-2)23-8-3/h21H,6-20H2,1-5H3
InChIKeyXCQSCLUMJAEDSX-UHFFFAOYSA-N
MW374.68 g/mol
LogP7.12
Rot. Bonds19

About diethoxy-hexadecan-2-yloxy-methylsilane

diethoxy-hexadecan-2-yloxy-methylsilane (PubChem CID 176915381) has the molecular formula C21H46O3Si and a molecular weight of 374.68 g/mol. Its IUPAC name is diethoxy-hexadecan-2-yloxy-methylsilane.

Molecular Properties

Compound Namediethoxy-hexadecan-2-yloxy-methylsilane
PubChem CID176915381
Molecular FormulaC21H46O3Si
Molecular Weight374.68 g/mol
Exact Mass374.32
IUPAC Namediethoxy-hexadecan-2-yloxy-methylsilane
SMILESCCCCCCCCCCCCCCC(C)O[Si](C)(OCC)OCC
InChIInChI=1S/C21H46O3Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21(4)24-25(5,22-7-2)23-8-3/h21H,6-20H2,1-5H3
InChIKeyXCQSCLUMJAEDSX-UHFFFAOYSA-N
XLogP7.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

CID 163283503
CID 163283503
diethoxy-hexadecan-2-yloxy-hydroxysilane
CID 176893996
diethoxy-ethyl-pentadecan-2-yloxysilane
CID 161487251
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
ethenyl-ethoxy-methyl-octan-2-yloxysilane
CID 91723234
diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
CID 175410263
butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
chloromethyl-dimethyl-tridecan-2-yloxysilane
CID 554737
dimethyl-(2-methylpropoxy)-octan-2-yloxysilane
CID 91726674
triethyl(tetradecan-2-yloxy)silane
CID 568550
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520

Frequently Asked Questions

What is the IUPAC name of diethoxy-hexadecan-2-yloxy-methylsilane?
The IUPAC name of diethoxy-hexadecan-2-yloxy-methylsilane (CID 176915381) is diethoxy-hexadecan-2-yloxy-methylsilane.
What is the SMILES notation for diethoxy-hexadecan-2-yloxy-methylsilane?
The canonical SMILES for diethoxy-hexadecan-2-yloxy-methylsilane is CCCCCCCCCCCCCCC(C)O[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-hexadecan-2-yloxy-methylsilane?
The InChIKey is XCQSCLUMJAEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21(4)24-25(5,22-7-2)23-8-3/h21H,6-20H2,1-5H3.
What are the key properties of diethoxy-hexadecan-2-yloxy-methylsilane?
diethoxy-hexadecan-2-yloxy-methylsilane has a molecular weight of 374.68 g/mol, XLogP of 7.12, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hexadecan-2-yloxy-methylsilane is sourced from PubChem (CID 176915381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).