[(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane

C19H36O3Si — CID 140601463

About [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 140601463) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 140601463
• Molecular Formula: C19H36O3Si
• Molecular Weight: 340.58 g/mol
• Exact Mass: 340.24
• IUPAC Name: [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C\OCCCC)O1
• InChI: InChI=1S/C19H36O3Si/c1-8-10-12-20-13-11-17-15-18(14-16(9-2)21-17)22-23(6,7)19(3,4)5/h9,11,13,16-18H,2,8,10,12,14-15H2,1,3-7H3/b13-11-/t16-,17+,18+/m0/s1
• InChIKey: HBCJQLSBTXGFEM-SNMBSUOOSA-N
• XLogP: 5.44
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.58
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 140601463) is [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C\OCCCC)O1.

What is the InChIKey of [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is HBCJQLSBTXGFEM-SNMBSUOOSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-10-12-20-13-11-17-15-18(14-16(9-2)21-17)22-23(6,7)19(3,4)5/h9,11,13,16-18H,2,8,10,12,14-15H2,1,3-7H3/b13-11-/t16-,17+,18+/m0/s1.

What are the key properties of [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 340.58 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).