tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane

C29H47BN2O4Si — CID 171613648

About tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane (PubChem CID 171613648) has the molecular formula C29H47BN2O4Si and a molecular weight of 526.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane
• PubChem CID: 171613648
• Molecular Formula: C29H47BN2O4Si
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.34
• IUPAC Name: tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane
• SMILES: CC1(C)OB(c2c3c(cc4c2cnn4C2CCCCO2)CCC3CCO[Si](C)(C)C(C)(C)C)OC1(C)C
• InChI: InChI=1S/C29H47BN2O4Si/c1-27(2,3)37(8,9)34-17-15-20-13-14-21-18-23-22(19-31-32(23)24-12-10-11-16-33-24)26(25(20)21)30-35-28(4,5)29(6,7)36-30/h18-20,24H,10-17H2,1-9H3
• InChIKey: ACQTUZVGKXUALQ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 54.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane (CID 171613648) is tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane is CC1(C)OB(c2c3c(cc4c2cnn4C2CCCCO2)CCC3CCO[Si](C)(C)C(C)(C)C)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane?

The InChIKey is ACQTUZVGKXUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47BN2O4Si/c1-27(2,3)37(8,9)34-17-15-20-13-14-21-18-23-22(19-31-32(23)24-12-10-11-16-33-24)26(25(20)21)30-35-28(4,5)29(6,7)36-30/h18-20,24H,10-17H2,1-9H3.

What are the key properties of tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane?

tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane has a molecular weight of 526.60 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[2-[1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-5-yl]ethoxy]silane is sourced from PubChem (CID 171613648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).