tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane

C20H32BNO2Si — CID 56973095

IUPACtert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane
SMILESCC1(C)OB(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)OC1(C)C
InChIInChI=1S/C20H32BNO2Si/c1-18(2,3)25(8,9)22-13-12-15-14-16(10-11-17(15)22)21-23-19(4,5)20(6,7)24-21/h10-14H,1-9H3
InChIKeyOPSNXUGQPVWOTJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.79
Rot. Bonds2

About tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane

tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane (PubChem CID 56973095) has the molecular formula C20H32BNO2Si and a molecular weight of 357.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane
PubChem CID56973095
Molecular FormulaC20H32BNO2Si
Molecular Weight357.38 g/mol
Exact Mass357.23
IUPAC Nametert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane
SMILESCC1(C)OB(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)OC1(C)C
InChIInChI=1S/C20H32BNO2Si/c1-18(2,3)25(8,9)22-13-12-15-14-16(10-11-17(15)22)21-23-19(4,5)20(6,7)24-21/h10-14H,1-9H3
InChIKeyOPSNXUGQPVWOTJ-UHFFFAOYSA-N
XLogP4.79
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.79
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

1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde
CID 53414020
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]acetamide
CID 66791461
N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]propan-1-amine
CID 131314274
tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethoxy]silane
CID 170692410
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2,4,6-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159727962
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanone
CID 131530893
CID 88941720
CID 88941720
9-(4-bromophenyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 149079009
2-fluoro-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenol
CID 163234419
5-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1-methylindole
CID 132502151
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole
CID 146776858

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane (CID 56973095) is tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane is CC1(C)OB(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane?
The InChIKey is OPSNXUGQPVWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BNO2Si/c1-18(2,3)25(8,9)22-13-12-15-14-16(10-11-17(15)22)21-23-19(4,5)20(6,7)24-21/h10-14H,1-9H3.
What are the key properties of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane?
tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane has a molecular weight of 357.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane is sourced from PubChem (CID 56973095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).