(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal

C₁₅H₂₂OSi — CID 11064715

About (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal

(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal (PubChem CID 11064715) has the molecular formula C₁₅H₂₂OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal.

Molecular Properties

• Compound Name: (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal
• PubChem CID: 11064715
• Molecular Formula: C₁₅H₂₂OSi
• Molecular Weight: 246.43 g/mol
• Exact Mass: 246.14
• IUPAC Name: (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal
• SMILES: CC(C)(C)[Si](C)(C)/C=C(\C=O)c1ccccc1
• InChI: InChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-14(11-16)13-9-7-6-8-10-13/h6-12H,1-5H3/b14-12+
• InChIKey: JSOIXKJNARLDMN-WYMLVPIESA-N
• XLogP: 4.32
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?

The IUPAC name of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal (CID 11064715) is (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal.

What is the SMILES notation for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?

The canonical SMILES for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal is CC(C)(C)[Si](C)(C)/C=C(\C=O)c1ccccc1.

What is the InChIKey of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?

The InChIKey is JSOIXKJNARLDMN-WYMLVPIESA-N. The full InChI is InChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-14(11-16)13-9-7-6-8-10-13/h6-12H,1-5H3/b14-12+.

What are the key properties of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?

(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal has a molecular weight of 246.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal is sourced from PubChem (CID 11064715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11064715 — identifiers, structure, computed properties (public domain)

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