dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane

C21H43BO3Si — CID 154721848

About dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane

dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane (PubChem CID 154721848) has the molecular formula C21H43BO3Si and a molecular weight of 382.47 g/mol. Its IUPAC name is dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane.

Molecular Properties

• Compound Name: dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane
• PubChem CID: 154721848
• Molecular Formula: C21H43BO3Si
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.31
• IUPAC Name: dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane
• SMILES: CCCCCCC/C=C(/C[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C21H43BO3Si/c1-10-11-12-13-14-15-16-19(17-26(8,9)23-18(2)3)22-24-20(4,5)21(6,7)25-22/h16,18H,10-15,17H2,1-9H3/b19-16-
• InChIKey: ZNPXQBPLUQBNLM-MNDPQUGUSA-N
• XLogP: 6.53
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	6.53
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'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane?

The IUPAC name of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane (CID 154721848) is dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane.

What is the SMILES notation for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane?

The canonical SMILES for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane is CCCCCCC/C=C(/C[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane?

The InChIKey is ZNPXQBPLUQBNLM-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H43BO3Si/c1-10-11-12-13-14-15-16-19(17-26(8,9)23-18(2)3)22-24-20(4,5)21(6,7)25-22/h16,18H,10-15,17H2,1-9H3/b19-16-.

What are the key properties of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane?

dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane has a molecular weight of 382.47 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-2-enyl]silane is sourced from PubChem (CID 154721848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).