butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane

C28H32N2OSi — CID 67601501

IUPACbutyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane
SMILESCCCC[Si](C)(C)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H32N2OSi/c1-4-5-21-32(2,3)31-27-22-29-30(23-27)28(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23H,4-5,21H2,1-3H3
InChIKeyBEHKALYCFSRAHT-UHFFFAOYSA-N
MW440.66 g/mol
LogP7.11
Rot. Bonds9

About butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane

butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane (PubChem CID 67601501) has the molecular formula C28H32N2OSi and a molecular weight of 440.66 g/mol. Its IUPAC name is butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane.

Molecular Properties

Compound Namebutyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane
PubChem CID67601501
Molecular FormulaC28H32N2OSi
Molecular Weight440.66 g/mol
Exact Mass440.23
IUPAC Namebutyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane
SMILESCCCC[Si](C)(C)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H32N2OSi/c1-4-5-21-32(2,3)31-27-22-29-30(23-27)28(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23H,4-5,21H2,1-3H3
InChIKeyBEHKALYCFSRAHT-UHFFFAOYSA-N
XLogP7.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane?
The IUPAC name of butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane (CID 67601501) is butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane.
What is the SMILES notation for butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane?
The canonical SMILES for butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane is CCCC[Si](C)(C)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane?
The InChIKey is BEHKALYCFSRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2OSi/c1-4-5-21-32(2,3)31-27-22-29-30(23-27)28(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23H,4-5,21H2,1-3H3.
What are the key properties of butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane?
butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane has a molecular weight of 440.66 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane is sourced from PubChem (CID 67601501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).