ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride

C15H36ClNO5Si — CID 153332864

IUPACethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride
SMILESCC[N+](CCCCO)(CCCCO)CC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C15H36NO5Si.ClH/c1-5-16(10-6-8-13-17,11-7-9-14-18)12-15-22(19-2,20-3)21-4;/h17-18H,5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyMELGCBCJLBLOJH-UHFFFAOYSA-M
MW373.99 g/mol
LogP-1.75
Rot. Bonds15

About ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride

ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride (PubChem CID 153332864) has the molecular formula C15H36ClNO5Si and a molecular weight of 373.99 g/mol. Its IUPAC name is ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride.

Molecular Properties

Compound Nameethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride
PubChem CID153332864
Molecular FormulaC15H36ClNO5Si
Molecular Weight373.99 g/mol
Exact Mass373.21
IUPAC Nameethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride
SMILESCC[N+](CCCCO)(CCCCO)CC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C15H36NO5Si.ClH/c1-5-16(10-6-8-13-17,11-7-9-14-18)12-15-22(19-2,20-3)21-4;/h17-18H,5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyMELGCBCJLBLOJH-UHFFFAOYSA-M
XLogP-1.75
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.99
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
26-trimethoxysilylhexacosan-1-ol
CID 87686281
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
diethyl-bis(3-hydroxypropyl)azanium hydroxide
CID 22731865
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
tetrakis(4-hydroxybutyl)azanium
CID 19093141
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779

Frequently Asked Questions

What is the IUPAC name of ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride?
The IUPAC name of ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride (CID 153332864) is ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride.
What is the SMILES notation for ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride?
The canonical SMILES for ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride is CC[N+](CCCCO)(CCCCO)CC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride?
The InChIKey is MELGCBCJLBLOJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H36NO5Si.ClH/c1-5-16(10-6-8-13-17,11-7-9-14-18)12-15-22(19-2,20-3)21-4;/h17-18H,5-15H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride?
ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride has a molecular weight of 373.99 g/mol, XLogP of -1.75, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(4-hydroxybutyl)-(2-trimethoxysilylethyl)azanium chloride is sourced from PubChem (CID 153332864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).