[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium

C22H48NO4Si2+ — CID 58870559

IUPAC[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium
SMILESC[N+](C)(C1CCC(CC[Si](C)(C)O)CC1O)C1CC(CC[Si](C)(C)O)CCC1O
InChIInChI=1S/C22H48NO4Si2/c1-23(2,19-9-7-18(16-22(19)25)12-14-29(5,6)27)20-15-17(8-10-21(20)24)11-13-28(3,4)26/h17-22,24-27H,7-16H2,1-6H3/q+1
InChIKeyAZKRTHCADUALGT-UHFFFAOYSA-N
MW446.80 g/mol
LogP3.30
Rot. Bonds8

About [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium

[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium (PubChem CID 58870559) has the molecular formula C22H48NO4Si2+ and a molecular weight of 446.80 g/mol. Its IUPAC name is [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium
PubChem CID58870559
Molecular FormulaC22H48NO4Si2+
Molecular Weight446.80 g/mol
Exact Mass446.31
IUPAC Name[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium
SMILESC[N+](C)(C1CCC(CC[Si](C)(C)O)CC1O)C1CC(CC[Si](C)(C)O)CCC1O
InChIInChI=1S/C22H48NO4Si2/c1-23(2,19-9-7-18(16-22(19)25)12-14-29(5,6)27)20-15-17(8-10-21(20)24)11-13-28(3,4)26/h17-22,24-27H,7-16H2,1-6H3/q+1
InChIKeyAZKRTHCADUALGT-UHFFFAOYSA-N
XLogP3.30
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.80
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium?
The IUPAC name of [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium (CID 58870559) is [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium.
What is the SMILES notation for [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium?
The canonical SMILES for [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium is C[N+](C)(C1CCC(CC[Si](C)(C)O)CC1O)C1CC(CC[Si](C)(C)O)CCC1O.
What is the InChIKey of [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium?
The InChIKey is AZKRTHCADUALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO4Si2/c1-23(2,19-9-7-18(16-22(19)25)12-14-29(5,6)27)20-15-17(8-10-21(20)24)11-13-28(3,4)26/h17-22,24-27H,7-16H2,1-6H3/q+1.
What are the key properties of [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium?
[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium has a molecular weight of 446.80 g/mol, XLogP of 3.30, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium is sourced from PubChem (CID 58870559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).