tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

C25H36BN3O3Si — CID 140798234

IUPACtert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
InChIInChI=1S/C25H36BN3O3Si/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26/h10-16H,17H2,1-9H3
InChIKeyVFTCOTBSDDHHLW-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.24
Rot. Bonds5

About tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (PubChem CID 140798234) has the molecular formula C25H36BN3O3Si and a molecular weight of 465.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
PubChem CID140798234
Molecular FormulaC25H36BN3O3Si
Molecular Weight465.48 g/mol
Exact Mass465.26
IUPAC Nametert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
InChIInChI=1S/C25H36BN3O3Si/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26/h10-16H,17H2,1-9H3
InChIKeyVFTCOTBSDDHHLW-UHFFFAOYSA-N
XLogP5.24
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (CID 140798234) is tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The InChIKey is VFTCOTBSDDHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36BN3O3Si/c1-23(2,3)33(8,9)30-17-20-11-10-12-22(28-20)29-21-15-19(14-13-18(21)16-27-29)26-31-24(4,5)25(6,7)32-26/h10-16H,17H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane has a molecular weight of 465.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is sourced from PubChem (CID 140798234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).