trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane

C21H54O5Si5 — CID 529419

IUPACtrimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H54O5Si5/c1-18(23-28(5,6)7)20(25-30(11,12)13)21(26-31(14,15)16)19(24-29(8,9)10)17-22-27(2,3)4/h18-21H,17H2,1-16H3
InChIKeyYCLDNNFGQOEZPF-UHFFFAOYSA-N
MW527.09 g/mol
LogP6.74
Rot. Bonds14

About trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane

trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane (PubChem CID 529419) has the molecular formula C21H54O5Si5 and a molecular weight of 527.09 g/mol. Its IUPAC name is trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane
PubChem CID529419
Molecular FormulaC21H54O5Si5
Molecular Weight527.09 g/mol
Exact Mass526.28
IUPAC Nametrimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H54O5Si5/c1-18(23-28(5,6)7)20(25-30(11,12)13)21(26-31(14,15)16)19(24-29(8,9)10)17-22-27(2,3)4/h18-21H,17H2,1-16H3
InChIKeyYCLDNNFGQOEZPF-UHFFFAOYSA-N
XLogP6.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.09
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane?
The IUPAC name of trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane (CID 529419) is trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane.
What is the SMILES notation for trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane?
The canonical SMILES for trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane is CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane?
The InChIKey is YCLDNNFGQOEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O5Si5/c1-18(23-28(5,6)7)20(25-30(11,12)13)21(26-31(14,15)16)19(24-29(8,9)10)17-22-27(2,3)4/h18-21H,17H2,1-16H3.
What are the key properties of trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane?
trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane has a molecular weight of 527.09 g/mol, XLogP of 6.74, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,3,4,5-tetrakis(trimethylsilyloxy)hexan-2-yloxy]silane is sourced from PubChem (CID 529419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).