tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane

C22H41BO3Si — CID 90460846

IUPACtert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C3(CCCC3)C2)OC1(C)C
InChIInChI=1S/C22H41BO3Si/c1-19(2,3)27(8,9)24-18-13-12-17(16-22(18)14-10-11-15-22)23-25-20(4,5)21(6,7)26-23/h12,18H,10-11,13-16H2,1-9H3
InChIKeyFNSQLWVCXHDYQK-UHFFFAOYSA-N
MW392.47 g/mol
LogP6.29
Rot. Bonds3

About tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane

tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane (PubChem CID 90460846) has the molecular formula C22H41BO3Si and a molecular weight of 392.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane
PubChem CID90460846
Molecular FormulaC22H41BO3Si
Molecular Weight392.47 g/mol
Exact Mass392.29
IUPAC Nametert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane
SMILESCC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C3(CCCC3)C2)OC1(C)C
InChIInChI=1S/C22H41BO3Si/c1-19(2,3)27(8,9)24-18-13-12-17(16-22(18)14-10-11-15-22)23-25-20(4,5)21(6,7)26-23/h12,18H,10-11,13-16H2,1-9H3
InChIKeyFNSQLWVCXHDYQK-UHFFFAOYSA-N
XLogP6.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 56.29
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 tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane (CID 90460846) is tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane is CC1(C)OB(C2=CCC(O[Si](C)(C)C(C)(C)C)C3(CCCC3)C2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane?
The InChIKey is FNSQLWVCXHDYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41BO3Si/c1-19(2,3)27(8,9)24-18-13-12-17(16-22(18)14-10-11-15-22)23-25-20(4,5)21(6,7)26-23/h12,18H,10-11,13-16H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane?
tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane has a molecular weight of 392.47 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[4.5]dec-7-en-10-yl]oxysilane is sourced from PubChem (CID 90460846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).