diethoxy-hexadecan-2-yloxy-hydroxysilane

C20H44O4Si — CID 176893996

IUPACdiethoxy-hexadecan-2-yloxy-hydroxysilane
SMILESCCCCCCCCCCCCCCC(C)O[Si](O)(OCC)OCC
InChIInChI=1S/C20H44O4Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)24-25(21,22-6-2)23-7-3/h20-21H,5-19H2,1-4H3
InChIKeyDLRIJZHZRJTRBX-UHFFFAOYSA-N
MW376.65 g/mol
LogP5.98
Rot. Bonds19

About diethoxy-hexadecan-2-yloxy-hydroxysilane

diethoxy-hexadecan-2-yloxy-hydroxysilane (PubChem CID 176893996) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is diethoxy-hexadecan-2-yloxy-hydroxysilane.

Molecular Properties

Compound Namediethoxy-hexadecan-2-yloxy-hydroxysilane
PubChem CID176893996
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Namediethoxy-hexadecan-2-yloxy-hydroxysilane
SMILESCCCCCCCCCCCCCCC(C)O[Si](O)(OCC)OCC
InChIInChI=1S/C20H44O4Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)24-25(21,22-6-2)23-7-3/h20-21H,5-19H2,1-4H3
InChIKeyDLRIJZHZRJTRBX-UHFFFAOYSA-N
XLogP5.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

diethoxy-hexadecan-2-yloxy-methylsilane
CID 176915381
diethoxy-ethyl-pentadecan-2-yloxysilane
CID 161487251
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
ethenyl-ethoxy-methyl-octan-2-yloxysilane
CID 91723234
triethyl(tetradecan-2-yloxy)silane
CID 568550
butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
2-(trioxidanyl)undecane
CID 140733486
chloromethyl-dimethyl-tridecan-2-yloxysilane
CID 554737
dimethyl-(2-methylpropoxy)-octan-2-yloxysilane
CID 91726674
2-ethoxytridecane
CID 54143367
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239

Frequently Asked Questions

What is the IUPAC name of diethoxy-hexadecan-2-yloxy-hydroxysilane?
The IUPAC name of diethoxy-hexadecan-2-yloxy-hydroxysilane (CID 176893996) is diethoxy-hexadecan-2-yloxy-hydroxysilane.
What is the SMILES notation for diethoxy-hexadecan-2-yloxy-hydroxysilane?
The canonical SMILES for diethoxy-hexadecan-2-yloxy-hydroxysilane is CCCCCCCCCCCCCCC(C)O[Si](O)(OCC)OCC.
What is the InChIKey of diethoxy-hexadecan-2-yloxy-hydroxysilane?
The InChIKey is DLRIJZHZRJTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)24-25(21,22-6-2)23-7-3/h20-21H,5-19H2,1-4H3.
What are the key properties of diethoxy-hexadecan-2-yloxy-hydroxysilane?
diethoxy-hexadecan-2-yloxy-hydroxysilane has a molecular weight of 376.65 g/mol, XLogP of 5.98, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hexadecan-2-yloxy-hydroxysilane is sourced from PubChem (CID 176893996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).