[octadecyl(oxo)silyl]azanium

C18H40NOSi+ — CID 140616002

IUPAC[octadecyl(oxo)silyl]azanium
SMILESCCCCCCCCCCCCCCCCCC[Si]([NH3+])=O
InChIInChI=1S/C18H40NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20/h2-18H2,1,19H3/q+1
InChIKeyASEFGXQGKYSDQT-UHFFFAOYSA-N
MW314.61 g/mol
LogP5.41
Rot. Bonds17

About [octadecyl(oxo)silyl]azanium

[octadecyl(oxo)silyl]azanium (PubChem CID 140616002) has the molecular formula C18H40NOSi+ and a molecular weight of 314.61 g/mol. Its IUPAC name is [octadecyl(oxo)silyl]azanium.

Molecular Properties

Compound Name[octadecyl(oxo)silyl]azanium
PubChem CID140616002
Molecular FormulaC18H40NOSi+
Molecular Weight314.61 g/mol
Exact Mass314.29
IUPAC Name[octadecyl(oxo)silyl]azanium
SMILESCCCCCCCCCCCCCCCCCC[Si]([NH3+])=O
InChIInChI=1S/C18H40NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20/h2-18H2,1,19H3/q+1
InChIKeyASEFGXQGKYSDQT-UHFFFAOYSA-N
XLogP5.41
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 137150635
CID 137150635
nonyl-oxo-oxosilylsilane
CID 123735974
CID 21462171
CID 21462171
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of [octadecyl(oxo)silyl]azanium?
The IUPAC name of [octadecyl(oxo)silyl]azanium (CID 140616002) is [octadecyl(oxo)silyl]azanium.
What is the SMILES notation for [octadecyl(oxo)silyl]azanium?
The canonical SMILES for [octadecyl(oxo)silyl]azanium is CCCCCCCCCCCCCCCCCC[Si]([NH3+])=O.
What is the InChIKey of [octadecyl(oxo)silyl]azanium?
The InChIKey is ASEFGXQGKYSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20/h2-18H2,1,19H3/q+1.
What are the key properties of [octadecyl(oxo)silyl]azanium?
[octadecyl(oxo)silyl]azanium has a molecular weight of 314.61 g/mol, XLogP of 5.41, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [octadecyl(oxo)silyl]azanium is sourced from PubChem (CID 140616002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).