[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane

C19H42O3Si2 — CID 153475723

IUPAC[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane
SMILESCC(C)(C)OC(C)(CCC1CCCCC1)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-18(2,3)20-19(4,16-15-17-13-11-10-12-14-17)21-24(8,9)22-23(5,6)7/h17H,10-16H2,1-9H3
InChIKeyIJWBXLPKNYUYEO-UHFFFAOYSA-N
MW374.71 g/mol
LogP6.45
Rot. Bonds8

About [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane

[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane (PubChem CID 153475723) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane
PubChem CID153475723
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane
SMILESCC(C)(C)OC(C)(CCC1CCCCC1)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-18(2,3)20-19(4,16-15-17-13-11-10-12-14-17)21-24(8,9)22-23(5,6)7/h17H,10-16H2,1-9H3
InChIKeyIJWBXLPKNYUYEO-UHFFFAOYSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane?
The IUPAC name of [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane (CID 153475723) is [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane.
What is the SMILES notation for [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane?
The canonical SMILES for [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane is CC(C)(C)OC(C)(CCC1CCCCC1)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane?
The InChIKey is IJWBXLPKNYUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-18(2,3)20-19(4,16-15-17-13-11-10-12-14-17)21-24(8,9)22-23(5,6)7/h17H,10-16H2,1-9H3.
What are the key properties of [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane?
[4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane has a molecular weight of 374.71 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane is sourced from PubChem (CID 153475723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).