2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane

C24H54O6Si3 — CID 68656099

IUPAC2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)OC[Si]1(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H54O6Si3/c1-19(2)25-16-31(22(7,8)9)28-32(23(10,11)12,17-26-20(3)4)30-33(29-31,24(13,14)15)18-27-21(5)6/h19-21H,16-18H2,1-15H3
InChIKeySVNZRESFNKUGDC-UHFFFAOYSA-N
MW522.95 g/mol
LogP6.67
Rot. Bonds9

About 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656099) has the molecular formula C24H54O6Si3 and a molecular weight of 522.95 g/mol. Its IUPAC name is 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656099
Molecular FormulaC24H54O6Si3
Molecular Weight522.95 g/mol
Exact Mass522.32
IUPAC Name2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)OC[Si]1(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H54O6Si3/c1-19(2)25-16-31(22(7,8)9)28-32(23(10,11)12,17-26-20(3)4)30-33(29-31,24(13,14)15)18-27-21(5)6/h19-21H,16-18H2,1-15H3
InChIKeySVNZRESFNKUGDC-UHFFFAOYSA-N
XLogP6.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.95
LogP ≤ 56.67
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-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane (CID 68656099) is 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane is CC(C)OC[Si]1(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O[Si](COC(C)C)(C(C)(C)C)O1.
What is the InChIKey of 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is SVNZRESFNKUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O6Si3/c1-19(2)25-16-31(22(7,8)9)28-32(23(10,11)12,17-26-20(3)4)30-33(29-31,24(13,14)15)18-27-21(5)6/h19-21H,16-18H2,1-15H3.
What are the key properties of 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 522.95 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).