(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol

C₁₆H₃₅BO₄Si — CID 154712267

About (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol

(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol (PubChem CID 154712267) has the molecular formula C₁₆H₃₅BO₄Si and a molecular weight of 330.35 g/mol. Its IUPAC name is (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol.

Molecular Properties

• Compound Name: (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
• PubChem CID: 154712267
• Molecular Formula: C₁₆H₃₅BO₄Si
• Molecular Weight: 330.35 g/mol
• Exact Mass: 330.24
• IUPAC Name: (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
• SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C16H35BO4Si/c1-12(11-19-22(9,10)14(2,3)4)13(18)17-20-15(5,6)16(7,8)21-17/h12-13,18H,11H2,1-10H3/t12-,13+/m1/s1
• InChIKey: FFAVOTDKLFJPFB-OLZOCXBDSA-N
• XLogP: 3.64
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.35
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?

The IUPAC name of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol (CID 154712267) is (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol.

What is the SMILES notation for (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?

The canonical SMILES for (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?

The InChIKey is FFAVOTDKLFJPFB-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H35BO4Si/c1-12(11-19-22(9,10)14(2,3)4)13(18)17-20-15(5,6)16(7,8)21-17/h12-13,18H,11H2,1-10H3/t12-,13+/m1/s1.

What are the key properties of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol?

(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol has a molecular weight of 330.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol is sourced from PubChem (CID 154712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154712267 — identifiers, structure, computed properties (public domain)

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