[(E)-4-methylpent-2-en-2-yl]-triphenylsilane

C24H26Si — CID 13332877

IUPAC[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
SMILESC/C(=C\C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26Si/c1-20(2)19-21(3)25(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20H,1-3H3/b21-19+
InChIKeyAUWOEPRTLLFNBK-XUTLUUPISA-N
MW342.56 g/mol
LogP4.30
Rot. Bonds5

About [(E)-4-methylpent-2-en-2-yl]-triphenylsilane

[(E)-4-methylpent-2-en-2-yl]-triphenylsilane (PubChem CID 13332877) has the molecular formula C24H26Si and a molecular weight of 342.56 g/mol. Its IUPAC name is [(E)-4-methylpent-2-en-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
PubChem CID13332877
Molecular FormulaC24H26Si
Molecular Weight342.56 g/mol
Exact Mass342.18
IUPAC Name[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
SMILESC/C(=C\C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26Si/c1-20(2)19-21(3)25(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20H,1-3H3/b21-19+
InChIKeyAUWOEPRTLLFNBK-XUTLUUPISA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-methylpent-2-en-2-yl]-triphenylsilane?
The IUPAC name of [(E)-4-methylpent-2-en-2-yl]-triphenylsilane (CID 13332877) is [(E)-4-methylpent-2-en-2-yl]-triphenylsilane.
What is the SMILES notation for [(E)-4-methylpent-2-en-2-yl]-triphenylsilane?
The canonical SMILES for [(E)-4-methylpent-2-en-2-yl]-triphenylsilane is C/C(=C\C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-4-methylpent-2-en-2-yl]-triphenylsilane?
The InChIKey is AUWOEPRTLLFNBK-XUTLUUPISA-N. The full InChI is InChI=1S/C24H26Si/c1-20(2)19-21(3)25(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20H,1-3H3/b21-19+.
What are the key properties of [(E)-4-methylpent-2-en-2-yl]-triphenylsilane?
[(E)-4-methylpent-2-en-2-yl]-triphenylsilane has a molecular weight of 342.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methylpent-2-en-2-yl]-triphenylsilane is sourced from PubChem (CID 13332877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).