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

C22H38B2O4Si — CID 135057487

IUPAC1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane
SMILESCC(c1c(B2OC(C)(C)C(C)(C)O2)cccc1B1OC(C)(C)C(C)(C)O1)[SiH](C)C
InChIInChI=1S/C22H38B2O4Si/c1-15(29(10)11)18-16(23-25-19(2,3)20(4,5)26-23)13-12-14-17(18)24-27-21(6,7)22(8,9)28-24/h12-15,29H,1-11H3
InChIKeyHHAXGXIELSKDII-UHFFFAOYSA-N
MW416.25 g/mol
LogP3.41
Rot. Bonds4

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

1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane (PubChem CID 135057487) has the molecular formula C22H38B2O4Si and a molecular weight of 416.25 g/mol. Its IUPAC name is 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane.

Molecular Properties

Compound Name1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane
PubChem CID135057487
Molecular FormulaC22H38B2O4Si
Molecular Weight416.25 g/mol
Exact Mass416.27
IUPAC Name1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane
SMILESCC(c1c(B2OC(C)(C)C(C)(C)O2)cccc1B1OC(C)(C)C(C)(C)O1)[SiH](C)C
InChIInChI=1S/C22H38B2O4Si/c1-15(29(10)11)18-16(23-25-19(2,3)20(4,5)26-23)13-12-14-17(18)24-27-21(6,7)22(8,9)28-24/h12-15,29H,1-11H3
InChIKeyHHAXGXIELSKDII-UHFFFAOYSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
(1R)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 99774998
N-[2-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide
CID 153384269
CID 24899129
CID 24899129
4,4,5,5-tetramethyl-2-(2-propan-2-ylsulfonylphenyl)-1,3,2-dioxaborolane
CID 127262602
2-(3-bromo-2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147153649
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzothiadiazole
CID 66760682
diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
CID 89375914
CID 131579330
CID 131579330
2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79662122
2-(3-bromo-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169003526

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane?
The IUPAC name of 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane (CID 135057487) is 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane.
What is the SMILES notation for 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane?
The canonical SMILES for 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane is CC(c1c(B2OC(C)(C)C(C)(C)O2)cccc1B1OC(C)(C)C(C)(C)O1)[SiH](C)C.
What is the InChIKey of 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane?
The InChIKey is HHAXGXIELSKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38B2O4Si/c1-15(29(10)11)18-16(23-25-19(2,3)20(4,5)26-23)13-12-14-17(18)24-27-21(6,7)22(8,9)28-24/h12-15,29H,1-11H3.
What are the key properties of 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane?
1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane has a molecular weight of 416.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane is sourced from PubChem (CID 135057487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).