dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride

C26H58ClNO3Si — CID 87084375

IUPACdimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC([N+](C)(C)CCC)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H58NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(3,4)25-9-2)31(28-5,29-6)30-7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1
InChIKeyNOCGAUCAFRPJEX-UHFFFAOYSA-M
MW496.29 g/mol
LogP4.52
Rot. Bonds23

About dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride

dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride (PubChem CID 87084375) has the molecular formula C26H58ClNO3Si and a molecular weight of 496.29 g/mol. Its IUPAC name is dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride
PubChem CID87084375
Molecular FormulaC26H58ClNO3Si
Molecular Weight496.29 g/mol
Exact Mass495.39
IUPAC Namedimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC([N+](C)(C)CCC)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H58NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(3,4)25-9-2)31(28-5,29-6)30-7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1
InChIKeyNOCGAUCAFRPJEX-UHFFFAOYSA-M
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.29
LogP ≤ 54.52
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride?
The IUPAC name of dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride (CID 87084375) is dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride.
What is the SMILES notation for dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride?
The canonical SMILES for dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride is CCCCCCCCCCCCCCCCCC([N+](C)(C)CCC)[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride?
The InChIKey is NOCGAUCAFRPJEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H58NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27(3,4)25-9-2)31(28-5,29-6)30-7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1.
What are the key properties of dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride?
dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride has a molecular weight of 496.29 g/mol, XLogP of 4.52, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propyl-(1-trimethoxysilyloctadecyl)azanium chloride is sourced from PubChem (CID 87084375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).