tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane

C27H49BO3Si — CID 135075097

IUPACtert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane
SMILESCC1(C)OB([C@H](CCCCCCO[Si](C)(C)C(C)(C)C)CCc2ccccc2)OC1(C)C
InChIInChI=1S/C27H49BO3Si/c1-25(2,3)32(8,9)29-22-16-11-10-15-19-24(21-20-23-17-13-12-14-18-23)28-30-26(4,5)27(6,7)31-28/h12-14,17-18,24H,10-11,15-16,19-22H2,1-9H3/t24-/m1/s1
InChIKeyLSFLNDXAVKPUSC-XMMPIXPASA-N
MW460.58 g/mol
LogP8.05
Rot. Bonds12

About tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane

tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane (PubChem CID 135075097) has the molecular formula C27H49BO3Si and a molecular weight of 460.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane
PubChem CID135075097
Molecular FormulaC27H49BO3Si
Molecular Weight460.58 g/mol
Exact Mass460.35
IUPAC Nametert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane
SMILESCC1(C)OB([C@H](CCCCCCO[Si](C)(C)C(C)(C)C)CCc2ccccc2)OC1(C)C
InChIInChI=1S/C27H49BO3Si/c1-25(2,3)32(8,9)29-22-16-11-10-15-19-24(21-20-23-17-13-12-14-18-23)28-30-26(4,5)27(6,7)31-28/h12-14,17-18,24H,10-11,15-16,19-22H2,1-9H3/t24-/m1/s1
InChIKeyLSFLNDXAVKPUSC-XMMPIXPASA-N
XLogP8.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-(4-nonylphenyl)-1,3,2-dioxaborolane
CID 57391611
4,4,5,5-Tetramethyl-2-(4-undecylphenyl)-1,3,2-dioxaborolane
CID 57398310
Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanol
CID 58685599
4-(4-Tetrahydropyranyl)phenylboronic Acid Pinacol Ester
CID 67249753
2-[4-(2-Methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68594860
4,4,5,5-Tetramethyl-2-(4-octylphenyl)-1,3,2-dioxaborolane
CID 58823386
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
2-(3-(2-Methoxyethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71756944
4,4,5,5-Tetramethyl-2-(3-(tetrahydro-2H-pyran-4-yl)phenyl)-1,3,2-dioxaborolane
CID 133551175
tert-Butyl((3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)dimethylsilane
CID 135023883
Tert-butyl-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
CID 135023962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane (CID 135075097) is tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane is CC1(C)OB([C@H](CCCCCCO[Si](C)(C)C(C)(C)C)CCc2ccccc2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane?
The InChIKey is LSFLNDXAVKPUSC-XMMPIXPASA-N. The full InChI is InChI=1S/C27H49BO3Si/c1-25(2,3)32(8,9)29-22-16-11-10-15-19-24(21-20-23-17-13-12-14-18-23)28-30-26(4,5)27(6,7)31-28/h12-14,17-18,24H,10-11,15-16,19-22H2,1-9H3/t24-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane?
tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane has a molecular weight of 460.58 g/mol, XLogP of 8.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(7R)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonoxy]silane is sourced from PubChem (CID 135075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).