trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane

C16H20Si — CID 140629834

IUPACtrimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane
SMILESCc1ccc(CC#CCC#C[Si](C)(C)C)cc1
InChIInChI=1S/C16H20Si/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-17(2,3)4/h10-13H,6,9H2,1-4H3
InChIKeyMWMBHYZZXAJCDC-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.81
Rot. Bonds1

About trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane

trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane (PubChem CID 140629834) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol. Its IUPAC name is trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane
PubChem CID140629834
Molecular FormulaC16H20Si
Molecular Weight240.42 g/mol
Exact Mass240.13
IUPAC Nametrimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane
SMILESCc1ccc(CC#CCC#C[Si](C)(C)C)cc1
InChIInChI=1S/C16H20Si/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-17(2,3)4/h10-13H,6,9H2,1-4H3
InChIKeyMWMBHYZZXAJCDC-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.81
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 trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane?
The IUPAC name of trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane (CID 140629834) is trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane.
What is the SMILES notation for trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane?
The canonical SMILES for trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane is Cc1ccc(CC#CCC#C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane?
The InChIKey is MWMBHYZZXAJCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-17(2,3)4/h10-13H,6,9H2,1-4H3.
What are the key properties of trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane?
trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane has a molecular weight of 240.42 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(4-methylphenyl)hexa-1,4-diynyl]silane is sourced from PubChem (CID 140629834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).