hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium

C14H34NO3Si+ — CID 23067004

IUPAChexyl-dimethyl-(3-trimethoxysilylpropyl)azanium
SMILESCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C14H34NO3Si/c1-7-8-9-10-12-15(2,3)13-11-14-19(16-4,17-5)18-6/h7-14H2,1-6H3/q+1
InChIKeyFWVRYYCKVWAEEG-UHFFFAOYSA-N
MW292.52 g/mol
LogP2.91
Rot. Bonds12

About hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium

hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium (PubChem CID 23067004) has the molecular formula C14H34NO3Si+ and a molecular weight of 292.52 g/mol. Its IUPAC name is hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namehexyl-dimethyl-(3-trimethoxysilylpropyl)azanium
PubChem CID23067004
Molecular FormulaC14H34NO3Si+
Molecular Weight292.52 g/mol
Exact Mass292.23
IUPAC Namehexyl-dimethyl-(3-trimethoxysilylpropyl)azanium
SMILESCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C14H34NO3Si/c1-7-8-9-10-12-15(2,3)13-11-14-19(16-4,17-5)18-6/h7-14H2,1-6H3/q+1
InChIKeyFWVRYYCKVWAEEG-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 52.91
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 hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium (CID 23067004) is hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium is CCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.
What is the InChIKey of hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
The InChIKey is FWVRYYCKVWAEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34NO3Si/c1-7-8-9-10-12-15(2,3)13-11-14-19(16-4,17-5)18-6/h7-14H2,1-6H3/q+1.
What are the key properties of hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium?
hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium has a molecular weight of 292.52 g/mol, XLogP of 2.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethyl-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 23067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).