but-3-yn-2-yl-dimethyl-phenylsilane

C12H16Si — CID 10559542

IUPACbut-3-yn-2-yl-dimethyl-phenylsilane
SMILESC#CC(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16Si/c1-5-11(2)13(3,4)12-9-7-6-8-10-12/h1,6-11H,2-4H3
InChIKeyYMADCNYCNUFHSD-UHFFFAOYSA-N
MW188.35 g/mol
LogP2.63
Rot. Bonds2

About but-3-yn-2-yl-dimethyl-phenylsilane

but-3-yn-2-yl-dimethyl-phenylsilane (PubChem CID 10559542) has the molecular formula C12H16Si and a molecular weight of 188.35 g/mol. Its IUPAC name is but-3-yn-2-yl-dimethyl-phenylsilane.

Molecular Properties

Compound Namebut-3-yn-2-yl-dimethyl-phenylsilane
PubChem CID10559542
Molecular FormulaC12H16Si
Molecular Weight188.35 g/mol
Exact Mass188.10
IUPAC Namebut-3-yn-2-yl-dimethyl-phenylsilane
SMILESC#CC(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16Si/c1-5-11(2)13(3,4)12-9-7-6-8-10-12/h1,6-11H,2-4H3
InChIKeyYMADCNYCNUFHSD-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-3-yn-2-yl-dimethyl-phenylsilane?
The IUPAC name of but-3-yn-2-yl-dimethyl-phenylsilane (CID 10559542) is but-3-yn-2-yl-dimethyl-phenylsilane.
What is the SMILES notation for but-3-yn-2-yl-dimethyl-phenylsilane?
The canonical SMILES for but-3-yn-2-yl-dimethyl-phenylsilane is C#CC(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of but-3-yn-2-yl-dimethyl-phenylsilane?
The InChIKey is YMADCNYCNUFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Si/c1-5-11(2)13(3,4)12-9-7-6-8-10-12/h1,6-11H,2-4H3.
What are the key properties of but-3-yn-2-yl-dimethyl-phenylsilane?
but-3-yn-2-yl-dimethyl-phenylsilane has a molecular weight of 188.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yl-dimethyl-phenylsilane is sourced from PubChem (CID 10559542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).