trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane

C30H51BN2O3Si2 — CID 171568076

IUPACtrimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)[Si](C#Cc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)nn2COCC[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H51BN2O3Si2/c1-22(2)38(23(3)4,24(5)6)19-17-25-15-14-16-26-27(25)28(31-35-29(7,8)30(9,10)36-31)32-33(26)21-34-18-20-37(11,12)13/h14-16,22-24H,18,20-21H2,1-13H3
InChIKeyWFYNEWJDIIGKNR-UHFFFAOYSA-N
MW554.73 g/mol
LogP7.22
Rot. Bonds9

About trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 171568076) has the molecular formula C30H51BN2O3Si2 and a molecular weight of 554.73 g/mol. Its IUPAC name is trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID171568076
Molecular FormulaC30H51BN2O3Si2
Molecular Weight554.73 g/mol
Exact Mass554.35
IUPAC Nametrimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)[Si](C#Cc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)nn2COCC[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H51BN2O3Si2/c1-22(2)38(23(3)4,24(5)6)19-17-25-15-14-16-26-27(25)28(31-35-29(7,8)30(9,10)36-31)32-33(26)21-34-18-20-37(11,12)13/h14-16,22-24H,18,20-21H2,1-13H3
InChIKeyWFYNEWJDIIGKNR-UHFFFAOYSA-N
XLogP7.22
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane (CID 171568076) is trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane is CC(C)[Si](C#Cc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)nn2COCC[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is WFYNEWJDIIGKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51BN2O3Si2/c1-22(2)38(23(3)4,24(5)6)19-17-25-15-14-16-26-27(25)28(31-35-29(7,8)30(9,10)36-31)32-33(26)21-34-18-20-37(11,12)13/h14-16,22-24H,18,20-21H2,1-13H3.
What are the key properties of trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 554.73 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 171568076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).