tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane

C20H32O2Si — CID 10865052

About tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane

tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane (PubChem CID 10865052) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane
• PubChem CID: 10865052
• Molecular Formula: C20H32O2Si
• Molecular Weight: 332.56 g/mol
• Exact Mass: 332.22
• IUPAC Name: tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane
• SMILES: C=C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C/C=C\C#CCOC
• InChI: InChI=1S/C20H32O2Si/c1-18(22-23(8,9)19(2,3)4)20(5,6)16-14-12-10-11-13-15-17-21-7/h10-11H,1,16-17H2,2-9H3/b11-10-
• InChIKey: NIAPWLNEOBHMDO-KHPPLWFESA-N
• XLogP: 5.15
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.56
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane (CID 10865052) is tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C/C=C\C#CCOC.

What is the InChIKey of tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane?

The InChIKey is NIAPWLNEOBHMDO-KHPPLWFESA-N. The full InChI is InChI=1S/C20H32O2Si/c1-18(22-23(8,9)19(2,3)4)20(5,6)16-14-12-10-11-13-15-17-21-7/h10-11H,1,16-17H2,2-9H3/b11-10-.

What are the key properties of tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane?

tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).