trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride

C26H58ClNO3Si — CID 160555318

IUPACtrimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(CC(C)(C)[SiH3])[N+](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)31)27(28-4,29-5)30-6;/h25H,7-24H2,1-6,31H3;1H/q+1;/p-1
InChIKeyQYPLEQJWTXHFFD-UHFFFAOYSA-M
MW496.29 g/mol
LogP4.47
Rot. Bonds23

About trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride

trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride (PubChem CID 160555318) has the molecular formula C26H58ClNO3Si and a molecular weight of 496.29 g/mol. Its IUPAC name is trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride.

Molecular Properties

Compound Nametrimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride
PubChem CID160555318
Molecular FormulaC26H58ClNO3Si
Molecular Weight496.29 g/mol
Exact Mass495.39
IUPAC Nametrimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(CC(C)(C)[SiH3])[N+](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)31)27(28-4,29-5)30-6;/h25H,7-24H2,1-6,31H3;1H/q+1;/p-1
InChIKeyQYPLEQJWTXHFFD-UHFFFAOYSA-M
XLogP4.47
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 ≤ 54.47
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
2,3-dimethylhenicosan-2-yl(trimethoxy)azanium
CID 175531441
decan-5-yl(trimethyl)azanium
CID 71390285
(5S)-5-methoxyundecane
CID 118889956
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
[1,1-bis(dimethylsilyloxy)-1-silyloctan-2-yl]oxy-dimethylsilane
CID 123351404
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733

Frequently Asked Questions

What is the IUPAC name of trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride?
The IUPAC name of trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride (CID 160555318) is trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride.
What is the SMILES notation for trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride?
The canonical SMILES for trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride is CCCCCCCCCCCCCCCCCCC(CC(C)(C)[SiH3])[N+](OC)(OC)OC.[Cl-].
What is the InChIKey of trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride?
The InChIKey is QYPLEQJWTXHFFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)31)27(28-4,29-5)30-6;/h25H,7-24H2,1-6,31H3;1H/q+1;/p-1.
What are the key properties of trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride?
trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride has a molecular weight of 496.29 g/mol, XLogP of 4.47, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(2-methyl-2-silyldocosan-4-yl)azanium chloride is sourced from PubChem (CID 160555318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).