bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate

C42H64O6Si2 — CID 71580464

About bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate

bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (PubChem CID 71580464) has the molecular formula C42H64O6Si2 and a molecular weight of 721.14 g/mol. Its IUPAC name is bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.

Molecular Properties

• Compound Name: bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
• PubChem CID: 71580464
• Molecular Formula: C42H64O6Si2
• Molecular Weight: 721.14 g/mol
• Exact Mass: 720.42
• IUPAC Name: bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
• SMILES: CCC/C=C/COC(=O)C1C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(C(=O)OC/C=C/CCC)C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C42H64O6Si2/c1-13-15-17-19-29-45-39(43)37-35(31-21-25-33(26-22-31)47-49(9,10)41(3,4)5)38(40(44)46-30-20-18-16-14-2)36(37)32-23-27-34(28-24-32)48-50(11,12)42(6,7)8/h17-28,35-38H,13-16,29-30H2,1-12H3/b19-17+,20-18+
• InChIKey: RFOGIXQESHQEEV-XPWSMXQVSA-N
• XLogP: 11.37
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.14
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?

The IUPAC name of bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (CID 71580464) is bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.

What is the SMILES notation for bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?

The canonical SMILES for bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is CCC/C=C/COC(=O)C1C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(C(=O)OC/C=C/CCC)C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?

The InChIKey is RFOGIXQESHQEEV-XPWSMXQVSA-N. The full InChI is InChI=1S/C42H64O6Si2/c1-13-15-17-19-29-45-39(43)37-35(31-21-25-33(26-22-31)47-49(9,10)41(3,4)5)38(40(44)46-30-20-18-16-14-2)36(37)32-23-27-34(28-24-32)48-50(11,12)42(6,7)8/h17-28,35-38H,13-16,29-30H2,1-12H3/b19-17+,20-18+.

What are the key properties of bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?

bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate has a molecular weight of 721.14 g/mol, XLogP of 11.37, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 71580464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).