[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane

C22H38B2O5Si — CID 102407946

IUPAC[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[SiH](C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H38B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13,30H,14H2,1-11H3
InChIKeyFAGJOYCUHNKPLK-UHFFFAOYSA-N
MW432.25 g/mol
LogP2.86
Rot. Bonds5

About [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane

[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane (PubChem CID 102407946) has the molecular formula C22H38B2O5Si and a molecular weight of 432.25 g/mol. Its IUPAC name is [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane.

Molecular Properties

Compound Name[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane
PubChem CID102407946
Molecular FormulaC22H38B2O5Si
Molecular Weight432.25 g/mol
Exact Mass432.27
IUPAC Name[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[SiH](C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H38B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13,30H,14H2,1-11H3
InChIKeyFAGJOYCUHNKPLK-UHFFFAOYSA-N
XLogP2.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane?
The IUPAC name of [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane (CID 102407946) is [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane.
What is the SMILES notation for [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane?
The canonical SMILES for [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane is COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[SiH](C)C)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane?
The InChIKey is FAGJOYCUHNKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13,30H,14H2,1-11H3.
What are the key properties of [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane?
[3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane has a molecular weight of 432.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-dimethylsilane is sourced from PubChem (CID 102407946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).