tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane

C24H44O3Si — CID 140810756

About tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane (PubChem CID 140810756) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
• PubChem CID: 140810756
• Molecular Formula: C24H44O3Si
• Molecular Weight: 408.70 g/mol
• Exact Mass: 408.31
• IUPAC Name: tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
• SMILES: C=C/C=C(\C)CCC1CC(OC)OC1/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H44O3Si/c1-10-12-19(2)14-15-21-18-23(25-7)27-22(21)17-20(3)13-11-16-26-28(8,9)24(4,5)6/h10,12,17,21-23H,1,11,13-16,18H2,2-9H3/b19-12+,20-17+
• InChIKey: CCPCOAVZGVYTQW-PVYFLZRGSA-N
• XLogP: 7.02
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.70
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane (CID 140810756) is tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane is C=C/C=C(\C)CCC1CC(OC)OC1/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?

The InChIKey is CCPCOAVZGVYTQW-PVYFLZRGSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-10-12-19(2)14-15-21-18-23(25-7)27-22(21)17-20(3)13-11-16-26-28(8,9)24(4,5)6/h10,12,17,21-23H,1,11,13-16,18H2,2-9H3/b19-12+,20-17+.

What are the key properties of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?

tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 408.70 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 140810756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).