dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane

C19H18Si — CID 148629996

IUPACdimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane
SMILESCC#Cc1cccc(C#C[Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C19H18Si/c1-4-9-17-10-8-11-18(16-17)14-15-20(2,3)19-12-6-5-7-13-19/h5-8,10-13,16H,1-3H3
InChIKeyNHYRMRGSHMOGRX-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.56
Rot. Bonds1

About dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane

dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane (PubChem CID 148629996) has the molecular formula C19H18Si and a molecular weight of 274.44 g/mol. Its IUPAC name is dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane
PubChem CID148629996
Molecular FormulaC19H18Si
Molecular Weight274.44 g/mol
Exact Mass274.12
IUPAC Namedimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane
SMILESCC#Cc1cccc(C#C[Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C19H18Si/c1-4-9-17-10-8-11-18(16-17)14-15-20(2,3)19-12-6-5-7-13-19/h5-8,10-13,16H,1-3H3
InChIKeyNHYRMRGSHMOGRX-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.56
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-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane?
The IUPAC name of dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane (CID 148629996) is dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane.
What is the SMILES notation for dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane?
The canonical SMILES for dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane is CC#Cc1cccc(C#C[Si](C)(C)c2ccccc2)c1.
What is the InChIKey of dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane?
The InChIKey is NHYRMRGSHMOGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Si/c1-4-9-17-10-8-11-18(16-17)14-15-20(2,3)19-12-6-5-7-13-19/h5-8,10-13,16H,1-3H3.
What are the key properties of dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane?
dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane has a molecular weight of 274.44 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane is sourced from PubChem (CID 148629996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).