hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium

C12H31N2O7Si+ — CID 162294563

IUPAChydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium
SMILESCO[Si](CCCNOCC[N+](O)(CCO)CCO)(OC)OC
InChIInChI=1S/C12H31N2O7Si/c1-18-22(19-2,20-3)12-4-5-13-21-11-8-14(17,6-9-15)7-10-16/h13,15-17H,4-12H2,1-3H3/q+1
InChIKeyVQKHYTMUDSJFEE-UHFFFAOYSA-N
MW343.47 g/mol
LogP-1.03
Rot. Bonds15

About hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium

hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium (PubChem CID 162294563) has the molecular formula C12H31N2O7Si+ and a molecular weight of 343.47 g/mol. Its IUPAC name is hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium.

Molecular Properties

Compound Namehydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium
PubChem CID162294563
Molecular FormulaC12H31N2O7Si+
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Namehydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium
SMILESCO[Si](CCCNOCC[N+](O)(CCO)CCO)(OC)OC
InChIInChI=1S/C12H31N2O7Si/c1-18-22(19-2,20-3)12-4-5-13-21-11-8-14(17,6-9-15)7-10-16/h13,15-17H,4-12H2,1-3H3/q+1
InChIKeyVQKHYTMUDSJFEE-UHFFFAOYSA-N
XLogP-1.03
TPSA109.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-trimethoxysilylpropylamino)oxyethanol
CID 172861713
diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754
26-trimethoxysilylhexacosan-1-ol
CID 87686281
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611
2-(5-aminopentylamino)oxyethanol
CID 88588722
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557

Frequently Asked Questions

What is the IUPAC name of hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium?
The IUPAC name of hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium (CID 162294563) is hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium.
What is the SMILES notation for hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium?
The canonical SMILES for hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium is CO[Si](CCCNOCC[N+](O)(CCO)CCO)(OC)OC.
What is the InChIKey of hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium?
The InChIKey is VQKHYTMUDSJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N2O7Si/c1-18-22(19-2,20-3)12-4-5-13-21-11-8-14(17,6-9-15)7-10-16/h13,15-17H,4-12H2,1-3H3/q+1.
What are the key properties of hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium?
hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium has a molecular weight of 343.47 g/mol, XLogP of -1.03, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-bis(2-hydroxyethyl)-[2-(3-trimethoxysilylpropylamino)oxyethyl]azanium is sourced from PubChem (CID 162294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).