(4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane

C17H33IO2Si — CID 56930009

About (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane

(4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane (PubChem CID 56930009) has the molecular formula C17H33IO2Si and a molecular weight of 424.44 g/mol. Its IUPAC name is (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane.

Molecular Properties

• Compound Name: (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane
• PubChem CID: 56930009
• Molecular Formula: C17H33IO2Si
• Molecular Weight: 424.44 g/mol
• Exact Mass: 424.13
• IUPAC Name: (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane
• SMILES: C/C(I)=C\[C@@H](C)[C@H]1C[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1
• InChI: InChI=1S/C17H33IO2Si/c1-12(10-13(2)18)15-11-14(3)19-21(20-15,16(4,5)6)17(7,8)9/h10,12,14-15H,11H2,1-9H3/b13-10+/t12-,14-,15-/m1/s1
• InChIKey: XGRKVFGJGWQRTN-KHYMHZASSA-N
• XLogP: 6.20
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane?

The IUPAC name of (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane (CID 56930009) is (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane.

What is the SMILES notation for (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane?

The canonical SMILES for (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane is C/C(I)=C\[C@@H](C)[C@H]1C[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1.

What is the InChIKey of (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane?

The InChIKey is XGRKVFGJGWQRTN-KHYMHZASSA-N. The full InChI is InChI=1S/C17H33IO2Si/c1-12(10-13(2)18)15-11-14(3)19-21(20-15,16(4,5)6)17(7,8)9/h10,12,14-15H,11H2,1-9H3/b13-10+/t12-,14-,15-/m1/s1.

What are the key properties of (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane?

(4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane has a molecular weight of 424.44 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-2,2-ditert-butyl-4-[(E,2R)-4-iodopent-3-en-2-yl]-6-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 56930009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).