dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane

C26H32Si — CID 71442006

IUPACdimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
SMILESCCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3
InChIKeyOBYBTZHAKHBYFG-UHFFFAOYSA-N
MW372.63 g/mol
LogP7.44
Rot. Bonds7

About dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane

dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane (PubChem CID 71442006) has the molecular formula C26H32Si and a molecular weight of 372.63 g/mol. Its IUPAC name is dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane.

Molecular Properties

Compound Namedimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
PubChem CID71442006
Molecular FormulaC26H32Si
Molecular Weight372.63 g/mol
Exact Mass372.23
IUPAC Namedimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
SMILESCCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3
InChIKeyOBYBTZHAKHBYFG-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The IUPAC name of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane (CID 71442006) is dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane.
What is the SMILES notation for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The canonical SMILES for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane is CCCC=C(CCC)C(=C[Si](C)(C)C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
The InChIKey is OBYBTZHAKHBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Si/c1-5-7-17-24(14-6-2)26(25-18-12-9-13-19-25)22-27(3,4)21-20-23-15-10-8-11-16-23/h8-13,15-19,22H,5-7,14H2,1-4H3.
What are the key properties of dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane?
dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane has a molecular weight of 372.63 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane is sourced from PubChem (CID 71442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).