2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane

C24H54O3Si3 — CID 634487

IUPAC2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H54O3Si3/c1-19(2,3)28(20(4,5)6)25-29(21(7,8)9,22(10,11)12)27-30(26-28,23(13,14)15)24(16,17)18/h1-18H3
InChIKeyJJVBZRJJLKKWQD-UHFFFAOYSA-N
MW474.95 g/mol
LogP9.18
Rot. Bonds

About 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane

2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 634487) has the molecular formula C24H54O3Si3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID634487
Molecular FormulaC24H54O3Si3
Molecular Weight474.95 g/mol
Exact Mass474.34
IUPAC Name2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H54O3Si3/c1-19(2,3)28(20(4,5)6)25-29(21(7,8)9,22(10,11)12)27-30(26-28,23(13,14)15)24(16,17)18/h1-18H3
InChIKeyJJVBZRJJLKKWQD-UHFFFAOYSA-N
XLogP9.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6,8,8-octatert-butyl-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
CID 16688029
2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 175464343
2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 159409910
2,4,6,8,10,12,14,16,18,20,22-undecatert-butyl-2,4,6,8,10,12,14,16,18,20,22-undecakis(ethenyl)-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 89486287
(4S,6R)-2,2,4-tritert-butyl-6-methyl-1,3,2-dioxasilinane
CID 10957107
2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 68656532
2-methylpropane-2-selenol
CID 5252532
(3aS,11bR)-2,2-ditert-butyl-3a,11b-dihydrophenanthro[9,10-d][1,3,2]dioxasilole
CID 6427380
4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium
CID 100932103
(3aR,9aR)-2,2-ditert-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxasilole
CID 6427383
[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol
CID 131875975
2,4,6-tritert-butyl-2,4,6-tris(propan-2-yloxymethyl)-1,3,5,2,4,6-trioxatrisilinane
CID 68656099

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane (CID 634487) is 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane is CC(C)(C)[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is JJVBZRJJLKKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O3Si3/c1-19(2,3)28(20(4,5)6)25-29(21(7,8)9,22(10,11)12)27-30(26-28,23(13,14)15)24(16,17)18/h1-18H3.
What are the key properties of 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane?
2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 474.95 g/mol, XLogP of 9.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 634487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).