tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane

C17H34O2Si — CID 11243480

IUPACtert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane
SMILESCCCCCCC#CC(OCOC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-11-12-13-14-16(19-15-18-5)20(6,7)17(2,3)4/h16H,8-12,15H2,1-7H3
InChIKeyWJVCWCADSYWMCU-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.00
Rot. Bonds8

About tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane

tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane (PubChem CID 11243480) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane
PubChem CID11243480
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane
SMILESCCCCCCC#CC(OCOC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-11-12-13-14-16(19-15-18-5)20(6,7)17(2,3)4/h16H,8-12,15H2,1-7H3
InChIKeyWJVCWCADSYWMCU-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane (CID 11243480) is tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane is CCCCCCC#CC(OCOC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane?
The InChIKey is WJVCWCADSYWMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-9-10-11-12-13-14-16(19-15-18-5)20(6,7)17(2,3)4/h16H,8-12,15H2,1-7H3.
What are the key properties of tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane?
tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane has a molecular weight of 298.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane is sourced from PubChem (CID 11243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).