tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane

C17H44O3Si4 — CID 135062774

IUPACtert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H44O3Si4/c1-17(2,3)23(10,11)18-15-13-14-16-24(12,19-21(4,5)6)20-22(7,8)9/h13-16H2,1-12H3
InChIKeyJKDVGXZFEIDCMV-UHFFFAOYSA-N
MW408.88 g/mol
LogP6.56
Rot. Bonds10

About tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane

tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane (PubChem CID 135062774) has the molecular formula C17H44O3Si4 and a molecular weight of 408.88 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane
PubChem CID135062774
Molecular FormulaC17H44O3Si4
Molecular Weight408.88 g/mol
Exact Mass408.24
IUPAC Nametert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H44O3Si4/c1-17(2,3)23(10,11)18-15-13-14-16-24(12,19-21(4,5)6)20-22(7,8)9/h13-16H2,1-12H3
InChIKeyJKDVGXZFEIDCMV-UHFFFAOYSA-N
XLogP6.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.88
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane (CID 135062774) is tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane is CC(C)(C)[Si](C)(C)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane?
The InChIKey is JKDVGXZFEIDCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H44O3Si4/c1-17(2,3)23(10,11)18-15-13-14-16-24(12,19-21(4,5)6)20-22(7,8)9/h13-16H2,1-12H3.
What are the key properties of tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane?
tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane has a molecular weight of 408.88 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]silane is sourced from PubChem (CID 135062774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).