tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane

C34H62O2Si2 — CID 169074605

About tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane

tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane (PubChem CID 169074605) has the molecular formula C34H62O2Si2 and a molecular weight of 559.04 g/mol. Its IUPAC name is tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
• PubChem CID: 169074605
• Molecular Formula: C34H62O2Si2
• Molecular Weight: 559.04 g/mol
• Exact Mass: 558.43
• IUPAC Name: tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
• SMILES: CC/C=C\C[C@@H](/C=C/C=C/C=C/[C@H](C/C=C\C/C=C\CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H62O2Si2/c1-13-15-17-18-19-20-24-28-32(36-38(11,12)34(6,7)8)30-26-22-21-25-29-31(27-23-16-14-2)35-37(9,10)33(3,4)5/h16-18,20-26,29-32H,13-15,19,27-28H2,1-12H3/b18-17-,22-21+,23-16-,24-20-,29-25+,30-26+/t31-,32-/m0/s1
• InChIKey: ROOJBQYTGGVNGY-VCPAZXITSA-N
• XLogP: 11.48
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.04
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane (CID 169074605) is tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane is CC/C=C\C[C@@H](/C=C/C=C/C=C/[C@H](C/C=C\C/C=C\CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?

The InChIKey is ROOJBQYTGGVNGY-VCPAZXITSA-N. The full InChI is InChI=1S/C34H62O2Si2/c1-13-15-17-18-19-20-24-28-32(36-38(11,12)34(6,7)8)30-26-22-21-25-29-31(27-23-16-14-2)35-37(9,10)33(3,4)5/h16-18,20-26,29-32H,13-15,19,27-28H2,1-12H3/b18-17-,22-21+,23-16-,24-20-,29-25+,30-26+/t31-,32-/m0/s1.

What are the key properties of tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?

tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane has a molecular weight of 559.04 g/mol, XLogP of 11.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 169074605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).