tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane

C32H49N3O2Si2 — CID 22352415

IUPACtert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C32H49N3O2Si2/c1-32(2,3)39(7,8)37-28-18-20-34(21-19-28)27-15-17-31-29(24-27)30(16-14-26-12-10-9-11-13-26)33-35(31)25-36-22-23-38(4,5)6/h9-17,24,28H,18-23,25H2,1-8H3/b16-14+
InChIKeyDZALHMRWBXLVOH-JQIJEIRASA-N
MW563.94 g/mol
LogP8.51
Rot. Bonds10

About tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane

tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane (PubChem CID 22352415) has the molecular formula C32H49N3O2Si2 and a molecular weight of 563.94 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane
PubChem CID22352415
Molecular FormulaC32H49N3O2Si2
Molecular Weight563.94 g/mol
Exact Mass563.34
IUPAC Nametert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C32H49N3O2Si2/c1-32(2,3)39(7,8)37-28-18-20-34(21-19-28)27-15-17-31-29(24-27)30(16-14-26-12-10-9-11-13-26)33-35(31)25-36-22-23-38(4,5)6/h9-17,24,28H,18-23,25H2,1-8H3/b16-14+
InChIKeyDZALHMRWBXLVOH-JQIJEIRASA-N
XLogP8.51
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.94
LogP ≤ 58.51
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 tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane (CID 22352415) is tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane?
The InChIKey is DZALHMRWBXLVOH-JQIJEIRASA-N. The full InChI is InChI=1S/C32H49N3O2Si2/c1-32(2,3)39(7,8)37-28-18-20-34(21-19-28)27-15-17-31-29(24-27)30(16-14-26-12-10-9-11-13-26)33-35(31)25-36-22-23-38(4,5)6/h9-17,24,28H,18-23,25H2,1-8H3/b16-14+.
What are the key properties of tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane?
tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane has a molecular weight of 563.94 g/mol, XLogP of 8.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane is sourced from PubChem (CID 22352415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).