dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride

C26H58ClNO3Si — CID 19829019

IUPACdimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
SMILESCCCCCCCCCCCCCCCC(CC(CCC)[NH+](C)C)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H57NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4;/h25-26H,8-24H2,1-7H3;1H
InChIKeySNUWQGKLAVBAJF-UHFFFAOYSA-N
MW496.29 g/mol
LogP3.42
Rot. Bonds23

About dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride

dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride (PubChem CID 19829019) has the molecular formula C26H58ClNO3Si and a molecular weight of 496.29 g/mol. Its IUPAC name is dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride.

Molecular Properties

Compound Namedimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
PubChem CID19829019
Molecular FormulaC26H58ClNO3Si
Molecular Weight496.29 g/mol
Exact Mass495.39
IUPAC Namedimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
SMILESCCCCCCCCCCCCCCCC(CC(CCC)[NH+](C)C)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C26H57NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4;/h25-26H,8-24H2,1-7H3;1H
InChIKeySNUWQGKLAVBAJF-UHFFFAOYSA-N
XLogP3.42
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
CID 19829018
N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
CID 173083767
3-trimethoxysilyltetradecan-1-amine
CID 22997270
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide
CID 19102416
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
CID 162505004
icosan-3-yl(dimethyl)azanium chloride
CID 87849706
1-trimethoxysilyloctan-1-amine
CID 87463125
hydroxy-dimethoxy-undecan-6-ylsilane
CID 20692336
[diacetyloxy(hexadecan-4-yl)silyl] acetate
CID 141437512
2-methyl-6-trimethoxysilylundec-2-enoic acid
CID 154490911

Frequently Asked Questions

What is the IUPAC name of dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride?
The IUPAC name of dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride (CID 19829019) is dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride.
What is the SMILES notation for dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride?
The canonical SMILES for dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride is CCCCCCCCCCCCCCCC(CC(CCC)[NH+](C)C)[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride?
The InChIKey is SNUWQGKLAVBAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4;/h25-26H,8-24H2,1-7H3;1H.
What are the key properties of dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride?
dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride has a molecular weight of 496.29 g/mol, XLogP of 3.42, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride is sourced from PubChem (CID 19829019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).