dimethyl-(2-phenylethynyl)-prop-1-ynylsilane

C13H14Si — CID 20633865

IUPACdimethyl-(2-phenylethynyl)-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)C#Cc1ccccc1
InChIInChI=1S/C13H14Si/c1-4-11-14(2,3)12-10-13-8-6-5-7-9-13/h5-9H,1-3H3
InChIKeyNHHMIEIYXZSPEK-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.85
Rot. Bonds

About dimethyl-(2-phenylethynyl)-prop-1-ynylsilane

dimethyl-(2-phenylethynyl)-prop-1-ynylsilane (PubChem CID 20633865) has the molecular formula C13H14Si and a molecular weight of 198.34 g/mol. Its IUPAC name is dimethyl-(2-phenylethynyl)-prop-1-ynylsilane.

Molecular Properties

Compound Namedimethyl-(2-phenylethynyl)-prop-1-ynylsilane
PubChem CID20633865
Molecular FormulaC13H14Si
Molecular Weight198.34 g/mol
Exact Mass198.09
IUPAC Namedimethyl-(2-phenylethynyl)-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)C#Cc1ccccc1
InChIInChI=1S/C13H14Si/c1-4-11-14(2,3)12-10-13-8-6-5-7-9-13/h5-9H,1-3H3
InChIKeyNHHMIEIYXZSPEK-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.85
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 dimethyl-(2-phenylethynyl)-prop-1-ynylsilane?
The IUPAC name of dimethyl-(2-phenylethynyl)-prop-1-ynylsilane (CID 20633865) is dimethyl-(2-phenylethynyl)-prop-1-ynylsilane.
What is the SMILES notation for dimethyl-(2-phenylethynyl)-prop-1-ynylsilane?
The canonical SMILES for dimethyl-(2-phenylethynyl)-prop-1-ynylsilane is CC#C[Si](C)(C)C#Cc1ccccc1.
What is the InChIKey of dimethyl-(2-phenylethynyl)-prop-1-ynylsilane?
The InChIKey is NHHMIEIYXZSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Si/c1-4-11-14(2,3)12-10-13-8-6-5-7-9-13/h5-9H,1-3H3.
What are the key properties of dimethyl-(2-phenylethynyl)-prop-1-ynylsilane?
dimethyl-(2-phenylethynyl)-prop-1-ynylsilane has a molecular weight of 198.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenylethynyl)-prop-1-ynylsilane is sourced from PubChem (CID 20633865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).