2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane

C21H48O6Si3 — CID 68656346

IUPAC2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCO[Si]1(C(C)CC)O[Si](OCCC)(C(C)CC)O[Si](OCCC)(C(C)CC)O1
InChIInChI=1S/C21H48O6Si3/c1-10-16-22-28(19(7)13-4)25-29(20(8)14-5,23-17-11-2)27-30(26-28,21(9)15-6)24-18-12-3/h19-21H,10-18H2,1-9H3
InChIKeyFVCGFDILSFOOAQ-UHFFFAOYSA-N
MW480.87 g/mol
LogP6.55
Rot. Bonds15

About 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 68656346) has the molecular formula C21H48O6Si3 and a molecular weight of 480.87 g/mol. Its IUPAC name is 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane
PubChem CID68656346
Molecular FormulaC21H48O6Si3
Molecular Weight480.87 g/mol
Exact Mass480.28
IUPAC Name2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCO[Si]1(C(C)CC)O[Si](OCCC)(C(C)CC)O[Si](OCCC)(C(C)CC)O1
InChIInChI=1S/C21H48O6Si3/c1-10-16-22-28(19(7)13-4)25-29(20(8)14-5,23-17-11-2)27-30(26-28,21(9)15-6)24-18-12-3/h19-21H,10-18H2,1-9H3
InChIKeyFVCGFDILSFOOAQ-UHFFFAOYSA-N
XLogP6.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8-tetra(propan-2-yl)-2,4,6,8-tetrakis(propoxymethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 68657161
1,2,3,4-tetra(butan-2-yl)-1,2,3,4-tetramethyltetrasiletane
CID 140649620
propyl (2R)-2-methylbutanoate
CID 86306230
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
1,1,2,2,3,3,4-heptamethyl-4-propoxytetrasiletane
CID 173144809
(2R,3R)-2,3-dipropoxybutane
CID 118445331
2,4,6,8-tetramethyl-2,6-dipropoxy-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 172844581
CID 22242256
CID 22242256
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
3-methyl-1-propoxypentane
CID 123388243
2-methoxy-2-propoxy-1,3,2-dioxasilolane
CID 59005009

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane (CID 68656346) is 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane is CCCO[Si]1(C(C)CC)O[Si](OCCC)(C(C)CC)O[Si](OCCC)(C(C)CC)O1.
What is the InChIKey of 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is FVCGFDILSFOOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O6Si3/c1-10-16-22-28(19(7)13-4)25-29(20(8)14-5,23-17-11-2)27-30(26-28,21(9)15-6)24-18-12-3/h19-21H,10-18H2,1-9H3.
What are the key properties of 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 480.87 g/mol, XLogP of 6.55, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(butan-2-yl)-2,4,6-tripropoxy-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 68656346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).