tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane

C52H116O12Si4 — CID 161065404

IUPACtri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane
SMILESCC(C)(C)O[Si](CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.CCC(C)O[Si](CC[Si](OC(C)CC)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/2C26H58O6Si2/c1-21(2,3)27-33(28-22(4,5)6,29-23(7,8)9)19-20-34(30-24(10,11)12,31-25(13,14)15)32-26(16,17)18;1-13-21(7)27-33(28-22(8)14-2,29-23(9)15-3)19-20-34(30-24(10)16-4,31-25(11)17-5)32-26(12)18-6/h19-20H2,1-18H3;21-26H,13-20H2,1-12H3
InChIKeyUDYNYPVQIHJKQU-UHFFFAOYSA-N
MW1045.83 g/mol
LogP15.51
Rot. Bonds30

About tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane

tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane (PubChem CID 161065404) has the molecular formula C52H116O12Si4 and a molecular weight of 1045.83 g/mol. Its IUPAC name is tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane.

Molecular Properties

Compound Nametri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane
PubChem CID161065404
Molecular FormulaC52H116O12Si4
Molecular Weight1045.83 g/mol
Exact Mass1044.75
IUPAC Nametri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane
SMILESCC(C)(C)O[Si](CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.CCC(C)O[Si](CC[Si](OC(C)CC)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/2C26H58O6Si2/c1-21(2,3)27-33(28-22(4,5)6,29-23(7,8)9)19-20-34(30-24(10,11)12,31-25(13,14)15)32-26(16,17)18;1-13-21(7)27-33(28-22(8)14-2,29-23(9)15-3)19-20-34(30-24(10)16-4,31-25(11)17-5)32-26(12)18-6/h19-20H2,1-18H3;21-26H,13-20H2,1-12H3
InChIKeyUDYNYPVQIHJKQU-UHFFFAOYSA-N
XLogP15.51
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.83
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane?
The IUPAC name of tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane (CID 161065404) is tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane.
What is the SMILES notation for tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane?
The canonical SMILES for tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane is CC(C)(C)O[Si](CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.CCC(C)O[Si](CC[Si](OC(C)CC)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane?
The InChIKey is UDYNYPVQIHJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H58O6Si2/c1-21(2,3)27-33(28-22(4,5)6,29-23(7,8)9)19-20-34(30-24(10,11)12,31-25(13,14)15)32-26(16,17)18;1-13-21(7)27-33(28-22(8)14-2,29-23(9)15-3)19-20-34(30-24(10)16-4,31-25(11)17-5)32-26(12)18-6/h19-20H2,1-18H3;21-26H,13-20H2,1-12H3.
What are the key properties of tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane?
tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane has a molecular weight of 1045.83 g/mol, XLogP of 15.51, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)-[2-tri(butan-2-yloxy)silylethyl]silane;tris[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane is sourced from PubChem (CID 161065404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).