hexadecane;triethoxysilane

C22H50O3Si — CID 164978259

IUPAChexadecane;triethoxysilane
SMILESCCCCCCCCCCCCCCCC.CCO[SiH](OCC)OCC
InChIInChI=1S/C16H34.C6H16O3Si/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-4-7-10(8-5-2)9-6-3/h3-16H2,1-2H3;10H,4-6H2,1-3H3
InChIKeyFCHCWVDAUAWZNU-UHFFFAOYSA-N
MW390.73 g/mol
LogP7.30
Rot. Bonds19

About hexadecane;triethoxysilane

hexadecane;triethoxysilane (PubChem CID 164978259) has the molecular formula C22H50O3Si and a molecular weight of 390.73 g/mol. Its IUPAC name is hexadecane;triethoxysilane.

Molecular Properties

Compound Namehexadecane;triethoxysilane
PubChem CID164978259
Molecular FormulaC22H50O3Si
Molecular Weight390.73 g/mol
Exact Mass390.35
IUPAC Namehexadecane;triethoxysilane
SMILESCCCCCCCCCCCCCCCC.CCO[SiH](OCC)OCC
InChIInChI=1S/C16H34.C6H16O3Si/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-4-7-10(8-5-2)9-6-3/h3-16H2,1-2H3;10H,4-6H2,1-3H3
InChIKeyFCHCWVDAUAWZNU-UHFFFAOYSA-N
XLogP7.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 57.30
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

1-fluoroheptadecane;triethoxysilane
CID 175602103
tri(undecoxy)silane
CID 123875078
butoxy(diethoxy)silane;methanamine
CID 173001020
manganese;tetracosane
CID 175605770
hexakis(decane);manganese
CID 173234782
decane;ruthenium
CID 160818595
diethoxy(tetracosyl)silane
CID 151502912
N-methylmethanamine;triethoxysilane
CID 173126402
fluoro hypofluorite;bis(triethoxysilane)
CID 173332294
1-butylaziridine;triethoxysilane
CID 173013888
ethoxy-methyl-octadecylsilane
CID 154047586
ethoxy-hexyl-methylsilane
CID 154037673

Frequently Asked Questions

What is the IUPAC name of hexadecane;triethoxysilane?
The IUPAC name of hexadecane;triethoxysilane (CID 164978259) is hexadecane;triethoxysilane.
What is the SMILES notation for hexadecane;triethoxysilane?
The canonical SMILES for hexadecane;triethoxysilane is CCCCCCCCCCCCCCCC.CCO[SiH](OCC)OCC.
What is the InChIKey of hexadecane;triethoxysilane?
The InChIKey is FCHCWVDAUAWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C6H16O3Si/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-4-7-10(8-5-2)9-6-3/h3-16H2,1-2H3;10H,4-6H2,1-3H3.
What are the key properties of hexadecane;triethoxysilane?
hexadecane;triethoxysilane has a molecular weight of 390.73 g/mol, XLogP of 7.30, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;triethoxysilane is sourced from PubChem (CID 164978259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).