bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane

C20H60O12Si11 — CID 553150

IUPACbis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C20H60O12Si11/c1-33(2)21-36(7,8)27-42(19,28-37(9,10)22-33)31-40(15,16)25-35(5,6)26-41(17,18)32-43(20)29-38(11,12)23-34(3,4)24-39(13,14)30-43/h1-20H3
InChIKeyHGZOGGFRBKKHOR-UHFFFAOYSA-N
MW801.63 g/mol
LogP6.67
Rot. Bonds8

About bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane

bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane (PubChem CID 553150) has the molecular formula C20H60O12Si11 and a molecular weight of 801.63 g/mol. Its IUPAC name is bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane.

Molecular Properties

Compound Namebis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane
PubChem CID553150
Molecular FormulaC20H60O12Si11
Molecular Weight801.63 g/mol
Exact Mass800.15
IUPAC Namebis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C20H60O12Si11/c1-33(2)21-36(7,8)27-42(19,28-37(9,10)22-33)31-40(15,16)25-35(5,6)26-41(17,18)32-43(20)29-38(11,12)23-34(3,4)24-39(13,14)30-43/h1-20H3
InChIKeyHGZOGGFRBKKHOR-UHFFFAOYSA-N
XLogP6.67
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.63
LogP ≤ 56.67
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 bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane?
The IUPAC name of bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane (CID 553150) is bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane.
What is the SMILES notation for bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane?
The canonical SMILES for bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane is C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1.
What is the InChIKey of bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane?
The InChIKey is HGZOGGFRBKKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H60O12Si11/c1-33(2)21-36(7,8)27-42(19,28-37(9,10)22-33)31-40(15,16)25-35(5,6)26-41(17,18)32-43(20)29-38(11,12)23-34(3,4)24-39(13,14)30-43/h1-20H3.
What are the key properties of bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane?
bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane has a molecular weight of 801.63 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy]-dimethylsilane is sourced from PubChem (CID 553150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).