[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane

C24H72O12Si12 — CID 15122926

IUPAC[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O1
InChIInChI=1S/C24H72O12Si12/c1-37(2,3)25-45(26-38(4,5)6)33-46(27-39(7,8)9,28-40(10,11)12)35-48(31-43(19,20)21,32-44(22,23)24)36-47(34-45,29-41(13,14)15)30-42(16,17)18/h1-24H3
InChIKeyFKYUCQIMXRPQRE-UHFFFAOYSA-N
MW889.86 g/mol
LogP8.62
Rot. Bonds16

About [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane

[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane (PubChem CID 15122926) has the molecular formula C24H72O12Si12 and a molecular weight of 889.86 g/mol. Its IUPAC name is [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane
PubChem CID15122926
Molecular FormulaC24H72O12Si12
Molecular Weight889.86 g/mol
Exact Mass888.23
IUPAC Name[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O1
InChIInChI=1S/C24H72O12Si12/c1-37(2,3)25-45(26-38(4,5)6)33-46(27-39(7,8)9,28-40(10,11)12)35-48(31-43(19,20)21,32-44(22,23)24)36-47(34-45,29-41(13,14)15)30-42(16,17)18/h1-24H3
InChIKeyFKYUCQIMXRPQRE-UHFFFAOYSA-N
XLogP8.62
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.86
LogP ≤ 58.62
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 [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane (CID 15122926) is [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane is C[Si](C)(C)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O1.
What is the InChIKey of [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane?
The InChIKey is FKYUCQIMXRPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H72O12Si12/c1-37(2,3)25-45(26-38(4,5)6)33-46(27-39(7,8)9,28-40(10,11)12)35-48(31-43(19,20)21,32-44(22,23)24)36-47(34-45,29-41(13,14)15)30-42(16,17)18/h1-24H3.
What are the key properties of [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane?
[2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane has a molecular weight of 889.86 g/mol, XLogP of 8.62, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4,6,6,8,8-heptakis(trimethylsilyloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 15122926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).