tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane

C18H34OSi2 — CID 102153241

IUPACtert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H34OSi2/c1-18(2,3)21(6,7)19-15-11-12-16-20(4,5)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3
InChIKeyIAACVCKNSYXGCP-UHFFFAOYSA-N
MW322.64 g/mol
LogP5.40
Rot. Bonds7

About tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane

tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane (PubChem CID 102153241) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
PubChem CID102153241
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Nametert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H34OSi2/c1-18(2,3)21(6,7)19-15-11-12-16-20(4,5)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3
InChIKeyIAACVCKNSYXGCP-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane (CID 102153241) is tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane?
The InChIKey is IAACVCKNSYXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-18(2,3)21(6,7)19-15-11-12-16-20(4,5)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3.
What are the key properties of tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane?
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane has a molecular weight of 322.64 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane is sourced from PubChem (CID 102153241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).