trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

C14H31BO3Si — CID 154719188

IUPACtrimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC(C)C[C@@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H31BO3Si/c1-11(2)10-12(16-19(7,8)9)15-17-13(3,4)14(5,6)18-15/h11-12H,10H2,1-9H3/t12-/m1/s1
InChIKeyOZRNNBGXBKADLI-GFCCVEGCSA-N
MW286.30 g/mol
LogP3.88
Rot. Bonds5

About trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (PubChem CID 154719188) has the molecular formula C14H31BO3Si and a molecular weight of 286.30 g/mol. Its IUPAC name is trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
PubChem CID154719188
Molecular FormulaC14H31BO3Si
Molecular Weight286.30 g/mol
Exact Mass286.21
IUPAC Nametrimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC(C)C[C@@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H31BO3Si/c1-11(2)10-12(16-19(7,8)9)15-17-13(3,4)14(5,6)18-15/h11-12H,10H2,1-9H3/t12-/m1/s1
InChIKeyOZRNNBGXBKADLI-GFCCVEGCSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The IUPAC name of trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (CID 154719188) is trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.
What is the SMILES notation for trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The canonical SMILES for trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is CC(C)C[C@@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The InChIKey is OZRNNBGXBKADLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H31BO3Si/c1-11(2)10-12(16-19(7,8)9)15-17-13(3,4)14(5,6)18-15/h11-12H,10H2,1-9H3/t12-/m1/s1.
What are the key properties of trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane has a molecular weight of 286.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is sourced from PubChem (CID 154719188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).