4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one

C23H42O3Si2 — CID 11122706

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one (PubChem CID 11122706) has the molecular formula C23H42O3Si2 and a molecular weight of 422.76 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one
• PubChem CID: 11122706
• Molecular Formula: C23H42O3Si2
• Molecular Weight: 422.76 g/mol
• Exact Mass: 422.27
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one
• SMILES: C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1=O
• InChI: InChI=1S/C23H42O3Si2/c1-12-13-18(17-25-27(8,9)22(2,3)4)20-16-19(14-15-21(20)24)26-28(10,11)23(5,6)7/h12-13,16,19H,1,14-15,17H2,2-11H3/b18-13-
• InChIKey: GPCYGLUVECMDOY-AQTBWJFISA-N
• XLogP: 6.80
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.76
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one (CID 11122706) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one is C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1=O.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one?

The InChIKey is GPCYGLUVECMDOY-AQTBWJFISA-N. The full InChI is InChI=1S/C23H42O3Si2/c1-12-13-18(17-25-27(8,9)22(2,3)4)20-16-19(14-15-21(20)24)26-28(10,11)23(5,6)7/h12-13,16,19H,1,14-15,17H2,2-11H3/b18-13-.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one?

4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one has a molecular weight of 422.76 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 11122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).