CID 153455817

C26H56NOSi+ — CID 153455817

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCC[Si]OC
InChIInChI=1S/C26H56NOSi/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(6-2,7-3)25-23-26-29-28-4/h5-26H2,1-4H3/q+1
InChIKeyDVTYZLZJWPDUET-UHFFFAOYSA-N
MW426.83 g/mol
LogP8.18
Rot. Bonds24

About CID 153455817

CID 153455817 (PubChem CID 153455817) has the molecular formula C26H56NOSi+ and a molecular weight of 426.83 g/mol.

Molecular Properties

Compound NameCID 153455817
PubChem CID153455817
Molecular FormulaC26H56NOSi+
Molecular Weight426.83 g/mol
Exact Mass426.41
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCC[Si]OC
InChIInChI=1S/C26H56NOSi/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(6-2,7-3)25-23-26-29-28-4/h5-26H2,1-4H3/q+1
InChIKeyDVTYZLZJWPDUET-UHFFFAOYSA-N
XLogP8.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl(dioctyl)azanium fluoride
CID 19602103
diethyl-heptyl-octylazanium bromide
CID 88763250
didodecyl(diethyl)azanium hydroxide
CID 87834319
CID 19011196
CID 19011196
diethyl(dipentyl)azanium bromide
CID 87777355
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048

Frequently Asked Questions

What is the IUPAC name of CID 153455817?
The IUPAC name of CID 153455817 (CID 153455817) is not available.
What is the SMILES notation for CID 153455817?
The canonical SMILES for CID 153455817 is CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCC[Si]OC.
What is the InChIKey of CID 153455817?
The InChIKey is DVTYZLZJWPDUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56NOSi/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(6-2,7-3)25-23-26-29-28-4/h5-26H2,1-4H3/q+1.
What are the key properties of CID 153455817?
CID 153455817 has a molecular weight of 426.83 g/mol, XLogP of 8.18, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153455817 is sourced from PubChem (CID 153455817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).