dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium

C22H48NO3Si+ — CID 161020572

IUPACdimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
SMILESCCCC/C=C\CCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C22H48NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6/h10-11H,7-9,12-22H2,1-6H3/q+1/b11-10-
InChIKeyFFNFWFQTMVIKOQ-KHPPLWFESA-N
MW402.72 g/mol
LogP5.81
Rot. Bonds19

About dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium

dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium (PubChem CID 161020572) has the molecular formula C22H48NO3Si+ and a molecular weight of 402.72 g/mol. Its IUPAC name is dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namedimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
PubChem CID161020572
Molecular FormulaC22H48NO3Si+
Molecular Weight402.72 g/mol
Exact Mass402.34
IUPAC Namedimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
SMILESCCCC/C=C\CCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C22H48NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6/h10-11H,7-9,12-22H2,1-6H3/q+1/b11-10-
InChIKeyFFNFWFQTMVIKOQ-KHPPLWFESA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.81
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
CID 88731013
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
dimethyl-bis(octadec-9-enyl)azanium hydroxide
CID 173237663
dimethyl-[(9Z,12Z)-octadeca-9,12-dienyl]-[(Z)-octadec-9-enyl]azanium
CID 88625479
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
bis[(9Z,12Z,27Z)-hexatriaconta-9,12,27-trienyl]-dimethylazanium chloride
CID 139678890
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
dimethyl-bis[(Z)-octadec-9-enyl]azanium;methyl sulfate
CID 87485636
ethyl-dimethyl-octadec-9-enylazanium bromide
CID 22958

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium (CID 161020572) is dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium is CCCC/C=C\CCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.
What is the InChIKey of dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium?
The InChIKey is FFNFWFQTMVIKOQ-KHPPLWFESA-N. The full InChI is InChI=1S/C22H48NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6/h10-11H,7-9,12-22H2,1-6H3/q+1/b11-10-.
What are the key properties of dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium?
dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium has a molecular weight of 402.72 g/mol, XLogP of 5.81, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 161020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).