[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane

C20H48O4Si3 — CID 123594678

IUPAC[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane
SMILESCCC(C)(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCC(C)(C)OC
InChIInChI=1S/C20H48O4Si3/c1-13-20(4,22-17-16-19(2,3)21-5)15-14-18-27(12,23-25(6,7)8)24-26(9,10)11/h13-18H2,1-12H3
InChIKeyXEHLFELWWLJYSO-UHFFFAOYSA-N
MW436.86 g/mol
LogP6.54
Rot. Bonds14

About [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane

[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane (PubChem CID 123594678) has the molecular formula C20H48O4Si3 and a molecular weight of 436.86 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane
PubChem CID123594678
Molecular FormulaC20H48O4Si3
Molecular Weight436.86 g/mol
Exact Mass436.29
IUPAC Name[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane
SMILESCCC(C)(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCC(C)(C)OC
InChIInChI=1S/C20H48O4Si3/c1-13-20(4,22-17-16-19(2,3)21-5)15-14-18-27(12,23-25(6,7)8)24-26(9,10)11/h13-18H2,1-12H3
InChIKeyXEHLFELWWLJYSO-UHFFFAOYSA-N
XLogP6.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane?
The IUPAC name of [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane (CID 123594678) is [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane.
What is the SMILES notation for [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane?
The canonical SMILES for [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane is CCC(C)(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCC(C)(C)OC.
What is the InChIKey of [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane?
The InChIKey is XEHLFELWWLJYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48O4Si3/c1-13-20(4,22-17-16-19(2,3)21-5)15-14-18-27(12,23-25(6,7)8)24-26(9,10)11/h13-18H2,1-12H3.
What are the key properties of [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane?
[4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 436.86 g/mol, XLogP of 6.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylbutoxy)-4-methylhexyl]-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 123594678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).