[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane

C23H33BO3Si — CID 71561091

IUPAC[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
SMILESCOc1cccc(C[C@@H](B2OC(C)(C)C(C)(C)O2)[Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(17-18-12-11-13-19(16-18)25-5)28(6,7)20-14-9-8-10-15-20/h8-16,21H,17H2,1-7H3/t21-/m0/s1
InChIKeyRXWFIYFZHFUOAR-NRFANRHFSA-N
MW396.41 g/mol
LogP4.85
Rot. Bonds6

About [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane

[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane (PubChem CID 71561091) has the molecular formula C23H33BO3Si and a molecular weight of 396.41 g/mol. Its IUPAC name is [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
PubChem CID71561091
Molecular FormulaC23H33BO3Si
Molecular Weight396.41 g/mol
Exact Mass396.23
IUPAC Name[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
SMILESCOc1cccc(C[C@@H](B2OC(C)(C)C(C)(C)O2)[Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(17-18-12-11-13-19(16-18)25-5)28(6,7)20-14-9-8-10-15-20/h8-16,21H,17H2,1-7H3/t21-/m0/s1
InChIKeyRXWFIYFZHFUOAR-NRFANRHFSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-(2-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 135063391
(4R)-4-[dimethyl(phenyl)silyl]-5-(3-methoxyphenyl)pentan-1-ol
CID 71561094
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane?
The IUPAC name of [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane (CID 71561091) is [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane?
The canonical SMILES for [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane is COc1cccc(C[C@@H](B2OC(C)(C)C(C)(C)O2)[Si](C)(C)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane?
The InChIKey is RXWFIYFZHFUOAR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(17-18-12-11-13-19(16-18)25-5)28(6,7)20-14-9-8-10-15-20/h8-16,21H,17H2,1-7H3/t21-/m0/s1.
What are the key properties of [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane?
[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane has a molecular weight of 396.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane is sourced from PubChem (CID 71561091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).