butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane

C21H44O3Si4 — CID 58381839

IUPACbutyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
SMILESCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si4/c1-10-11-19-27(8,22-25(2,3)4)24-28(9,23-26(5,6)7)20-15-18-21-16-13-12-14-17-21/h12-14,16-17H,10-11,15,18-20H2,1-9H3
InChIKeyYIZIXLPPXJBFMW-UHFFFAOYSA-N
MW456.92 g/mol
LogP7.28
Rot. Bonds13

About butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane

butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane (PubChem CID 58381839) has the molecular formula C21H44O3Si4 and a molecular weight of 456.92 g/mol. Its IUPAC name is butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane.

Molecular Properties

Compound Namebutyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
PubChem CID58381839
Molecular FormulaC21H44O3Si4
Molecular Weight456.92 g/mol
Exact Mass456.24
IUPAC Namebutyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
SMILESCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si4/c1-10-11-19-27(8,22-25(2,3)4)24-28(9,23-26(5,6)7)20-15-18-21-16-13-12-14-17-21/h12-14,16-17H,10-11,15,18-20H2,1-9H3
InChIKeyYIZIXLPPXJBFMW-UHFFFAOYSA-N
XLogP7.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl-dimethyl-(2-phenylethoxy)silane
CID 601576
tributyl(3-phenylpropoxy)silane
CID 624018
octylbenzene
CID 16607
butylbenzene;propylbenzene
CID 142022125
octacosylbenzene
CID 14228596
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
azane;tetradecylbenzene
CID 70503489
hexylbenzene;hydrogen peroxide
CID 90001206
butylbenzene;hydroxylamine
CID 175142403

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane?
The IUPAC name of butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane (CID 58381839) is butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane.
What is the SMILES notation for butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane?
The canonical SMILES for butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane is CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane?
The InChIKey is YIZIXLPPXJBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si4/c1-10-11-19-27(8,22-25(2,3)4)24-28(9,23-26(5,6)7)20-15-18-21-16-13-12-14-17-21/h12-14,16-17H,10-11,15,18-20H2,1-9H3.
What are the key properties of butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane?
butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane has a molecular weight of 456.92 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane is sourced from PubChem (CID 58381839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).