2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane

C21H42O6Si3 — CID 68656499

IUPAC2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCOC[Si]1(C2CCCC2)O[Si](COC)(C2CCCC2)O[Si](COC)(C2CCCC2)O1
InChIInChI=1S/C21H42O6Si3/c1-22-16-28(19-10-4-5-11-19)25-29(17-23-2,20-12-6-7-13-20)27-30(26-28,18-24-3)21-14-8-9-15-21/h19-21H,4-18H2,1-3H3
InChIKeyLNXXWQXVQPATOJ-UHFFFAOYSA-N
MW474.82 g/mol
LogP4.77
Rot. Bonds9

About 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656499) has the molecular formula C21H42O6Si3 and a molecular weight of 474.82 g/mol. Its IUPAC name is 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656499
Molecular FormulaC21H42O6Si3
Molecular Weight474.82 g/mol
Exact Mass474.23
IUPAC Name2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCOC[Si]1(C2CCCC2)O[Si](COC)(C2CCCC2)O[Si](COC)(C2CCCC2)O1
InChIInChI=1S/C21H42O6Si3/c1-22-16-28(19-10-4-5-11-19)25-29(17-23-2,20-12-6-7-13-20)27-30(26-28,18-24-3)21-14-8-9-15-21/h19-21H,4-18H2,1-3H3
InChIKeyLNXXWQXVQPATOJ-UHFFFAOYSA-N
XLogP4.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane (CID 68656499) is 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane is COC[Si]1(C2CCCC2)O[Si](COC)(C2CCCC2)O[Si](COC)(C2CCCC2)O1.
What is the InChIKey of 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is LNXXWQXVQPATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O6Si3/c1-22-16-28(19-10-4-5-11-19)25-29(17-23-2,20-12-6-7-13-20)27-30(26-28,18-24-3)21-14-8-9-15-21/h19-21H,4-18H2,1-3H3.
What are the key properties of 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 474.82 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).