2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane

C33H66O6Si3 — CID 68656094

IUPAC2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)(C)OC[Si]1(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O1
InChIInChI=1S/C33H66O6Si3/c1-31(2,3)34-25-40(28-19-13-10-14-20-28)37-41(26-35-32(4,5)6,29-21-15-11-16-22-29)39-42(38-40,27-36-33(7,8)9)30-23-17-12-18-24-30/h28-30H,10-27H2,1-9H3
InChIKeyMXBQWHLBJNQIQP-UHFFFAOYSA-N
MW643.14 g/mol
LogP9.44
Rot. Bonds9

About 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656094) has the molecular formula C33H66O6Si3 and a molecular weight of 643.14 g/mol. Its IUPAC name is 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656094
Molecular FormulaC33H66O6Si3
Molecular Weight643.14 g/mol
Exact Mass642.42
IUPAC Name2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)(C)OC[Si]1(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O1
InChIInChI=1S/C33H66O6Si3/c1-31(2,3)34-25-40(28-19-13-10-14-20-28)37-41(26-35-32(4,5)6,29-21-15-11-16-22-29)39-42(38-40,27-36-33(7,8)9)30-23-17-12-18-24-30/h28-30H,10-27H2,1-9H3
InChIKeyMXBQWHLBJNQIQP-UHFFFAOYSA-N
XLogP9.44
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.14
LogP ≤ 59.44
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-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane (CID 68656094) is 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane is CC(C)(C)OC[Si]1(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O[Si](COC(C)(C)C)(C2CCCCC2)O1.
What is the InChIKey of 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is MXBQWHLBJNQIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66O6Si3/c1-31(2,3)34-25-40(28-19-13-10-14-20-28)37-41(26-35-32(4,5)6,29-21-15-11-16-22-29)39-42(38-40,27-36-33(7,8)9)30-23-17-12-18-24-30/h28-30H,10-27H2,1-9H3.
What are the key properties of 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 643.14 g/mol, XLogP of 9.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).