2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol

C16H36O9Si2 — CID 23404609

IUPAC2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol
SMILESCO[Si](C)(CCCOCCOC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C
InChIInChI=1S/C16H36O9Si2/c1-21-27(5,25-26(2,3)4)10-6-7-22-8-9-23-16-15(20)14(19)13(18)12(11-17)24-16/h12-20H,6-11H2,1-5H3
InChIKeyAZZKPXPDFAIODT-UHFFFAOYSA-N
MW428.63 g/mol
LogP-0.22
Rot. Bonds12

About 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 23404609) has the molecular formula C16H36O9Si2 and a molecular weight of 428.63 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol
PubChem CID23404609
Molecular FormulaC16H36O9Si2
Molecular Weight428.63 g/mol
Exact Mass428.19
IUPAC Name2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol
SMILESCO[Si](C)(CCCOCCOC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C
InChIInChI=1S/C16H36O9Si2/c1-21-27(5,25-26(2,3)4)10-6-7-22-8-9-23-16-15(20)14(19)13(18)12(11-17)24-16/h12-20H,6-11H2,1-5H3
InChIKeyAZZKPXPDFAIODT-UHFFFAOYSA-N
XLogP-0.22
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.63
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol (CID 23404609) is 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol is CO[Si](C)(CCCOCCOC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C.
What is the InChIKey of 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol?
The InChIKey is AZZKPXPDFAIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O9Si2/c1-21-27(5,25-26(2,3)4)10-6-7-22-8-9-23-16-15(20)14(19)13(18)12(11-17)24-16/h12-20H,6-11H2,1-5H3.
What are the key properties of 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 428.63 g/mol, XLogP of -0.22, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 23404609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).