bis(2,3-dimethylphenyl)-diethynylsilane

C20H20Si — CID 139653436

IUPACbis(2,3-dimethylphenyl)-diethynylsilane
SMILESC#C[Si](C#C)(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C20H20Si/c1-7-21(8-2,19-13-9-11-15(3)17(19)5)20-14-10-12-16(4)18(20)6/h1-2,9-14H,3-6H3
InChIKeyQGYQPEPLMFJKBY-UHFFFAOYSA-N
MW288.47 g/mol
LogP2.83
Rot. Bonds2

About bis(2,3-dimethylphenyl)-diethynylsilane

bis(2,3-dimethylphenyl)-diethynylsilane (PubChem CID 139653436) has the molecular formula C20H20Si and a molecular weight of 288.47 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl)-diethynylsilane.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl)-diethynylsilane
PubChem CID139653436
Molecular FormulaC20H20Si
Molecular Weight288.47 g/mol
Exact Mass288.13
IUPAC Namebis(2,3-dimethylphenyl)-diethynylsilane
SMILESC#C[Si](C#C)(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C20H20Si/c1-7-21(8-2,19-13-9-11-15(3)17(19)5)20-14-10-12-16(4)18(20)6/h1-2,9-14H,3-6H3
InChIKeyQGYQPEPLMFJKBY-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 52.83
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 bis(2,3-dimethylphenyl)-diethynylsilane?
The IUPAC name of bis(2,3-dimethylphenyl)-diethynylsilane (CID 139653436) is bis(2,3-dimethylphenyl)-diethynylsilane.
What is the SMILES notation for bis(2,3-dimethylphenyl)-diethynylsilane?
The canonical SMILES for bis(2,3-dimethylphenyl)-diethynylsilane is C#C[Si](C#C)(c1cccc(C)c1C)c1cccc(C)c1C.
What is the InChIKey of bis(2,3-dimethylphenyl)-diethynylsilane?
The InChIKey is QGYQPEPLMFJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Si/c1-7-21(8-2,19-13-9-11-15(3)17(19)5)20-14-10-12-16(4)18(20)6/h1-2,9-14H,3-6H3.
What are the key properties of bis(2,3-dimethylphenyl)-diethynylsilane?
bis(2,3-dimethylphenyl)-diethynylsilane has a molecular weight of 288.47 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl)-diethynylsilane is sourced from PubChem (CID 139653436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).