tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane

C15H26O2Si — CID 101259781

IUPACtert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOCC=C1CC1
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-12-7-6-11-16-13-10-14-8-9-14/h10H,8-9,11-13H2,1-5H3
InChIKeyIWWMSYGBHQDINY-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.75
Rot. Bonds5

About tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane

tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane (PubChem CID 101259781) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane
PubChem CID101259781
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Nametert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOCC=C1CC1
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-12-7-6-11-16-13-10-14-8-9-14/h10H,8-9,11-13H2,1-5H3
InChIKeyIWWMSYGBHQDINY-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.75
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': 'isolated_alkene', '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-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane (CID 101259781) is tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCOCC=C1CC1.
What is the InChIKey of tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane?
The InChIKey is IWWMSYGBHQDINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-12-7-6-11-16-13-10-14-8-9-14/h10H,8-9,11-13H2,1-5H3.
What are the key properties of tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane?
tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-cyclopropylideneethoxy)but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 101259781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).