2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane

C18H42O6Si3 — CID 68656470

IUPAC2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCOC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)OC)O[Si](C(C)C)(C(C)OC)O1
InChIInChI=1S/C18H42O6Si3/c1-13(2)25(16(7)19-10)22-26(14(3)4,17(8)20-11)24-27(23-25,15(5)6)18(9)21-12/h13-18H,1-12H3
InChIKeyBBHLZTVCUATCRI-UHFFFAOYSA-N
MW438.79 g/mol
LogP4.33
Rot. Bonds9

About 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656470) has the molecular formula C18H42O6Si3 and a molecular weight of 438.79 g/mol. Its IUPAC name is 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656470
Molecular FormulaC18H42O6Si3
Molecular Weight438.79 g/mol
Exact Mass438.23
IUPAC Name2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCOC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)OC)O[Si](C(C)C)(C(C)OC)O1
InChIInChI=1S/C18H42O6Si3/c1-13(2)25(16(7)19-10)22-26(14(3)4,17(8)20-11)24-27(23-25,15(5)6)18(9)21-12/h13-18H,1-12H3
InChIKeyBBHLZTVCUATCRI-UHFFFAOYSA-N
XLogP4.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 54.33
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-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane (CID 68656470) is 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane is COC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)OC)O[Si](C(C)C)(C(C)OC)O1.
What is the InChIKey of 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is BBHLZTVCUATCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si3/c1-13(2)25(16(7)19-10)22-26(14(3)4,17(8)20-11)24-27(23-25,15(5)6)18(9)21-12/h13-18H,1-12H3.
What are the key properties of 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 438.79 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1-methoxyethyl)-2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).