2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C20H42O6Si — CID 59502273

IUPAC2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C20H42O6Si/c1-4-5-6-7-8-9-10-11-13-27(2,3)14-12-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,4-15H2,1-3H3
InChIKeySSWPQGNXCOXAIC-UHFFFAOYSA-N
MW406.64 g/mol
LogP2.65
Rot. Bonds14

About 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59502273) has the molecular formula C20H42O6Si and a molecular weight of 406.64 g/mol. Its IUPAC name is 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59502273
Molecular FormulaC20H42O6Si
Molecular Weight406.64 g/mol
Exact Mass406.28
IUPAC Name2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C20H42O6Si/c1-4-5-6-7-8-9-10-11-13-27(2,3)14-12-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,4-15H2,1-3H3
InChIKeySSWPQGNXCOXAIC-UHFFFAOYSA-N
XLogP2.65
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59502273) is 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is SSWPQGNXCOXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6Si/c1-4-5-6-7-8-9-10-11-13-27(2,3)14-12-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,4-15H2,1-3H3.
What are the key properties of 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 406.64 g/mol, XLogP of 2.65, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[decyl(dimethyl)silyl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59502273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).