2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane

C21H42O6Si3 — CID 68656150

IUPAC2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)O[Si]1(C2CCC2)O[Si](OC(C)C)(C2CCC2)O[Si](OC(C)C)(C2CCC2)O1
InChIInChI=1S/C21H42O6Si3/c1-16(2)22-28(19-10-7-11-19)25-29(23-17(3)4,20-12-8-13-20)27-30(26-28,24-18(5)6)21-14-9-15-21/h16-21H,7-15H2,1-6H3
InChIKeyQSKOLVFJXBJIOZ-UHFFFAOYSA-N
MW474.82 g/mol
LogP5.80
Rot. Bonds9

About 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656150) has the molecular formula C21H42O6Si3 and a molecular weight of 474.82 g/mol. Its IUPAC name is 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656150
Molecular FormulaC21H42O6Si3
Molecular Weight474.82 g/mol
Exact Mass474.23
IUPAC Name2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane
SMILESCC(C)O[Si]1(C2CCC2)O[Si](OC(C)C)(C2CCC2)O[Si](OC(C)C)(C2CCC2)O1
InChIInChI=1S/C21H42O6Si3/c1-16(2)22-28(19-10-7-11-19)25-29(23-17(3)4,20-12-8-13-20)27-30(26-28,24-18(5)6)21-14-9-15-21/h16-21H,7-15H2,1-6H3
InChIKeyQSKOLVFJXBJIOZ-UHFFFAOYSA-N
XLogP5.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane with MolForge

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Related Compounds

2,4,6,8,10-penta(cyclobutyl)-2,4,6,8,10-pentapropoxy-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 68657067
(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane
CID 101363185
1,3,5,7,9,11,13,15,17,19-decacyclopentyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
CID 139045101
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
CID 68656499
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
cyclobutanamine;1-dimethoxysilylethanamine
CID 174954653
2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
CID 140681788
CID 59269667
CID 59269667
N-propan-2-yloxycyclobutanamine
CID 130833121
trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
CID 14642489
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane (CID 68656150) is 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane is CC(C)O[Si]1(C2CCC2)O[Si](OC(C)C)(C2CCC2)O[Si](OC(C)C)(C2CCC2)O1.
What is the InChIKey of 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is QSKOLVFJXBJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O6Si3/c1-16(2)22-28(19-10-7-11-19)25-29(23-17(3)4,20-12-8-13-20)27-30(26-28,24-18(5)6)21-14-9-15-21/h16-21H,7-15H2,1-6H3.
What are the key properties of 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 474.82 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(cyclobutyl)-2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).