trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane

C21H38O3Si3 — CID 59941623

IUPACtrimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane
SMILESC=C(COc1ccc(C=C(C)C)cc1C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H38O3Si3/c1-17(2)14-20-12-13-21(18(3)15-20)22-16-19(4)27(11,23-25(5,6)7)24-26(8,9)10/h12-15H,4,16H2,1-3,5-11H3
InChIKeyZXIRFTUBOQJJOL-UHFFFAOYSA-N
MW422.79 g/mol
LogP6.67
Rot. Bonds9

About trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane

trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane (PubChem CID 59941623) has the molecular formula C21H38O3Si3 and a molecular weight of 422.79 g/mol. Its IUPAC name is trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane
PubChem CID59941623
Molecular FormulaC21H38O3Si3
Molecular Weight422.79 g/mol
Exact Mass422.21
IUPAC Nametrimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane
SMILESC=C(COc1ccc(C=C(C)C)cc1C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H38O3Si3/c1-17(2)14-20-12-13-21(18(3)15-20)22-16-19(4)27(11,23-25(5,6)7)24-26(8,9)10/h12-15H,4,16H2,1-3,5-11H3
InChIKeyZXIRFTUBOQJJOL-UHFFFAOYSA-N
XLogP6.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.79
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane?
The IUPAC name of trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane (CID 59941623) is trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane.
What is the SMILES notation for trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane?
The canonical SMILES for trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane is C=C(COc1ccc(C=C(C)C)cc1C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane?
The InChIKey is ZXIRFTUBOQJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si3/c1-17(2)14-20-12-13-21(18(3)15-20)22-16-19(4)27(11,23-25(5,6)7)24-26(8,9)10/h12-15H,4,16H2,1-3,5-11H3.
What are the key properties of trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane?
trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane has a molecular weight of 422.79 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[methyl-[3-[2-methyl-4-(2-methylprop-1-enyl)phenoxy]prop-1-en-2-yl]-trimethylsilyloxysilyl]oxysilane is sourced from PubChem (CID 59941623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).