Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

C₁₃H₂₉BO₃Si — CID 154719302

About Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (PubChem CID 154719302) has the molecular formula C₁₃H₂₉BO₃Si and a molecular weight of 272.27 g/mol. Its IUPAC name is methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.

Molecular Properties

• Compound Name: Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
• PubChem CID: 154719302
• Molecular Formula: C₁₃H₂₉BO₃Si
• Molecular Weight: 272.27 g/mol
• Exact Mass: 272.20
• IUPAC Name: methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
• SMILES: CO[Si](C)(C)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C
• InChI: InChI=1S/C13H29BO3Si/c1-10(2)11(18(8,9)15-7)14-16-12(3,4)13(5,6)17-14/h10-11H,1-9H3/t11-/m1/s1
• InChIKey: KOSJXVQSQQESTL-LLVKDONJSA-N
• XLogP: 3.50
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.27
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?

The IUPAC name of Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (CID 154719302) is methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.

What is the SMILES notation for Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?

The canonical SMILES for Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is CO[Si](C)(C)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C.

What is the InChIKey of Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?

The InChIKey is KOSJXVQSQQESTL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H29BO3Si/c1-10(2)11(18(8,9)15-7)14-16-12(3,4)13(5,6)17-14/h10-11H,1-9H3/t11-/m1/s1.

What are the key properties of Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?

Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane has a molecular weight of 272.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is sourced from PubChem (CID 154719302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154719302 — identifiers, structure, computed properties (public domain)

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