bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane

C30H60O8Si9 — CID 624556

IUPACbis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](CC[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(c2ccccc2)c2ccccc2)O[Si](C)(C)O1
InChIInChI=1S/C30H60O8Si9/c1-39(2)31-41(5,6)35-45(13,36-42(7,8)32-39)25-27-47(29-21-17-15-18-22-29,30-23-19-16-20-24-30)28-26-46(14)37-43(9,10)33-40(3,4)34-44(11,12)38-46/h15-24H,25-28H2,1-14H3
InChIKeyNQMOLJAQKQUBPF-UHFFFAOYSA-N
MW801.58 g/mol
LogP7.76
Rot. Bonds8

About bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane

bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane (PubChem CID 624556) has the molecular formula C30H60O8Si9 and a molecular weight of 801.58 g/mol. Its IUPAC name is bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane.

Molecular Properties

Compound Namebis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane
PubChem CID624556
Molecular FormulaC30H60O8Si9
Molecular Weight801.58 g/mol
Exact Mass800.22
IUPAC Namebis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](CC[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(c2ccccc2)c2ccccc2)O[Si](C)(C)O1
InChIInChI=1S/C30H60O8Si9/c1-39(2)31-41(5,6)35-45(13,36-42(7,8)32-39)25-27-47(29-21-17-15-18-22-29,30-23-19-16-20-24-30)28-26-46(14)37-43(9,10)33-40(3,4)34-44(11,12)38-46/h15-24H,25-28H2,1-14H3
InChIKeyNQMOLJAQKQUBPF-UHFFFAOYSA-N
XLogP7.76
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane?
The IUPAC name of bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane (CID 624556) is bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane.
What is the SMILES notation for bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane?
The canonical SMILES for bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane is C[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](CC[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(c2ccccc2)c2ccccc2)O[Si](C)(C)O1.
What is the InChIKey of bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane?
The InChIKey is NQMOLJAQKQUBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O8Si9/c1-39(2)31-41(5,6)35-45(13,36-42(7,8)32-39)25-27-47(29-21-17-15-18-22-29,30-23-19-16-20-24-30)28-26-46(14)37-43(9,10)33-40(3,4)34-44(11,12)38-46/h15-24H,25-28H2,1-14H3.
What are the key properties of bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane?
bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane has a molecular weight of 801.58 g/mol, XLogP of 7.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-diphenylsilane is sourced from PubChem (CID 624556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).