[chloro(dimethyl)silyl]methyl-tridodecylazanium

C39H83ClNSi+ — CID 153323824

IUPAC[chloro(dimethyl)silyl]methyl-tridodecylazanium
SMILESCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C[Si](C)(C)Cl
InChIInChI=1S/C39H83ClNSi/c1-6-9-12-15-18-21-24-27-30-33-36-41(39-42(4,5)40,37-34-31-28-25-22-19-16-13-10-7-2)38-35-32-29-26-23-20-17-14-11-8-3/h6-39H2,1-5H3/q+1
InChIKeyOYIANQSKPVANJF-UHFFFAOYSA-N
MW629.64 g/mol
LogP14.55
Rot. Bonds35

About [chloro(dimethyl)silyl]methyl-tridodecylazanium

[chloro(dimethyl)silyl]methyl-tridodecylazanium (PubChem CID 153323824) has the molecular formula C39H83ClNSi+ and a molecular weight of 629.64 g/mol. Its IUPAC name is [chloro(dimethyl)silyl]methyl-tridodecylazanium.

Molecular Properties

Compound Name[chloro(dimethyl)silyl]methyl-tridodecylazanium
PubChem CID153323824
Molecular FormulaC39H83ClNSi+
Molecular Weight629.64 g/mol
Exact Mass628.60
IUPAC Name[chloro(dimethyl)silyl]methyl-tridodecylazanium
SMILESCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C[Si](C)(C)Cl
InChIInChI=1S/C39H83ClNSi/c1-6-9-12-15-18-21-24-27-30-33-36-41(39-42(4,5)40,37-34-31-28-25-22-19-16-13-10-7-2)38-35-32-29-26-23-20-17-14-11-8-3/h6-39H2,1-5H3/q+1
InChIKeyOYIANQSKPVANJF-UHFFFAOYSA-N
XLogP14.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.64
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
CID 153323838
tri(heptadecyl)-octylazanium
CID 87809516
octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
pentyl-tri(tridecyl)azanium
CID 87897500
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406
tetradecyl-tri(tridecyl)azanium
CID 87805804

Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)silyl]methyl-tridodecylazanium?
The IUPAC name of [chloro(dimethyl)silyl]methyl-tridodecylazanium (CID 153323824) is [chloro(dimethyl)silyl]methyl-tridodecylazanium.
What is the SMILES notation for [chloro(dimethyl)silyl]methyl-tridodecylazanium?
The canonical SMILES for [chloro(dimethyl)silyl]methyl-tridodecylazanium is CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C[Si](C)(C)Cl.
What is the InChIKey of [chloro(dimethyl)silyl]methyl-tridodecylazanium?
The InChIKey is OYIANQSKPVANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H83ClNSi/c1-6-9-12-15-18-21-24-27-30-33-36-41(39-42(4,5)40,37-34-31-28-25-22-19-16-13-10-7-2)38-35-32-29-26-23-20-17-14-11-8-3/h6-39H2,1-5H3/q+1.
What are the key properties of [chloro(dimethyl)silyl]methyl-tridodecylazanium?
[chloro(dimethyl)silyl]methyl-tridodecylazanium has a molecular weight of 629.64 g/mol, XLogP of 14.55, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(dimethyl)silyl]methyl-tridodecylazanium is sourced from PubChem (CID 153323824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).