trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C27H37BN2O3Si — CID 22352470

IUPACtrimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C27H37BN2O3Si/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7/h8-16,19H,17-18,20H2,1-7H3/b15-13+
InChIKeyOWKRWLSTFSEYIE-FYWRMAATSA-N
MW476.50 g/mol
LogP5.82
Rot. Bonds8

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

trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 22352470) has the molecular formula C27H37BN2O3Si and a molecular weight of 476.50 g/mol. Its IUPAC name is trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID22352470
Molecular FormulaC27H37BN2O3Si
Molecular Weight476.50 g/mol
Exact Mass476.27
IUPAC Nametrimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C27H37BN2O3Si/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7/h8-16,19H,17-18,20H2,1-7H3/b15-13+
InChIKeyOWKRWLSTFSEYIE-FYWRMAATSA-N
XLogP5.82
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.82
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 22352470) is trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is OWKRWLSTFSEYIE-FYWRMAATSA-N. The full InChI is InChI=1S/C27H37BN2O3Si/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7/h8-16,19H,17-18,20H2,1-7H3/b15-13+.
What are the key properties of trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 476.50 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22352470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).