[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane

C25H33ClSi2 — CID 67035471

IUPAC[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane
SMILESCCCCCC#C[Si](C)(C)c1ccc([Si](C)(C)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C25H33ClSi2/c1-6-7-8-9-12-20-27(2,3)23-15-17-24(18-16-23)28(4,5)21-19-22-13-10-11-14-25(22)26/h10-11,13-19,21H,6-9H2,1-5H3/b21-19+
InChIKeySIBMPHXLMZKEEC-XUTLUUPISA-N
MW425.16 g/mol
LogP6.55
Rot. Bonds7

About [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane

[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane (PubChem CID 67035471) has the molecular formula C25H33ClSi2 and a molecular weight of 425.16 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane
PubChem CID67035471
Molecular FormulaC25H33ClSi2
Molecular Weight425.16 g/mol
Exact Mass424.18
IUPAC Name[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane
SMILESCCCCCC#C[Si](C)(C)c1ccc([Si](C)(C)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C25H33ClSi2/c1-6-7-8-9-12-20-27(2,3)23-15-17-24(18-16-23)28(4,5)21-19-22-13-10-11-14-25(22)26/h10-11,13-19,21H,6-9H2,1-5H3/b21-19+
InChIKeySIBMPHXLMZKEEC-XUTLUUPISA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.16
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane?
The IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane (CID 67035471) is [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane?
The canonical SMILES for [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane is CCCCCC#C[Si](C)(C)c1ccc([Si](C)(C)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane?
The InChIKey is SIBMPHXLMZKEEC-XUTLUUPISA-N. The full InChI is InChI=1S/C25H33ClSi2/c1-6-7-8-9-12-20-27(2,3)23-15-17-24(18-16-23)28(4,5)21-19-22-13-10-11-14-25(22)26/h10-11,13-19,21H,6-9H2,1-5H3/b21-19+.
What are the key properties of [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane?
[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane has a molecular weight of 425.16 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane is sourced from PubChem (CID 67035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).