tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane

C23H38OSi — CID 132522568

IUPACtert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
SMILESC#CC(CCCCCCO[Si](C)(C)C(C)(C)C)CCc1ccccc1
InChIInChI=1S/C23H38OSi/c1-7-21(18-19-22-16-12-10-13-17-22)15-11-8-9-14-20-24-25(5,6)23(2,3)4/h1,10,12-13,16-17,21H,8-9,11,14-15,18-20H2,2-6H3
InChIKeyLPLIEWRMJSHWLQ-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.84
Rot. Bonds11

About tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane

tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane (PubChem CID 132522568) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
PubChem CID132522568
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Nametert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
SMILESC#CC(CCCCCCO[Si](C)(C)C(C)(C)C)CCc1ccccc1
InChIInChI=1S/C23H38OSi/c1-7-21(18-19-22-16-12-10-13-17-22)15-11-8-9-14-20-24-25(5,6)23(2,3)4/h1,10,12-13,16-17,21H,8-9,11,14-15,18-20H2,2-6H3
InChIKeyLPLIEWRMJSHWLQ-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.84
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane (CID 132522568) is tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane is C#CC(CCCCCCO[Si](C)(C)C(C)(C)C)CCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane?
The InChIKey is LPLIEWRMJSHWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi/c1-7-21(18-19-22-16-12-10-13-17-22)15-11-8-9-14-20-24-25(5,6)23(2,3)4/h1,10,12-13,16-17,21H,8-9,11,14-15,18-20H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane?
tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane has a molecular weight of 358.64 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane is sourced from PubChem (CID 132522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).