but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

C12H24OSi — CID 88511350

IUPACbut-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCCC#CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C12H24OSi/c1-8-9-10-13-14(6,7)12(4,5)11(2)3/h11H,8H2,1-7H3
InChIKeyARXWALGNYXVWIY-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.02
Rot. Bonds3

About but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (PubChem CID 88511350) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.

Molecular Properties

Compound Namebut-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
PubChem CID88511350
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Namebut-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCCC#CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C12H24OSi/c1-8-9-10-13-14(6,7)12(4,5)11(2)3/h11H,8H2,1-7H3
InChIKeyARXWALGNYXVWIY-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The IUPAC name of but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (CID 88511350) is but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.
What is the SMILES notation for but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The canonical SMILES for but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is CCC#CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The InChIKey is ARXWALGNYXVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-8-9-10-13-14(6,7)12(4,5)11(2)3/h11H,8H2,1-7H3.
What are the key properties of but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ynoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is sourced from PubChem (CID 88511350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).