[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane

C29H51NO2Si2 — CID 15325864

IUPAC[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
SMILESCc1ccccc1-n1c(O[Si](C(C)C)(C(C)C)C(C)C)ccc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H51NO2Si2/c1-20(2)33(21(3)4,22(5)6)31-28-18-19-29(30(28)27-17-15-14-16-26(27)13)32-34(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3
InChIKeyILCXRUJDJIOYKQ-UHFFFAOYSA-N
MW501.90 g/mol
LogP9.89
Rot. Bonds11

About [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane

[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15325864) has the molecular formula C29H51NO2Si2 and a molecular weight of 501.90 g/mol. Its IUPAC name is [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID15325864
Molecular FormulaC29H51NO2Si2
Molecular Weight501.90 g/mol
Exact Mass501.35
IUPAC Name[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
SMILESCc1ccccc1-n1c(O[Si](C(C)C)(C(C)C)C(C)C)ccc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H51NO2Si2/c1-20(2)33(21(3)4,22(5)6)31-28-18-19-29(30(28)27-17-15-14-16-26(27)13)32-34(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3
InChIKeyILCXRUJDJIOYKQ-UHFFFAOYSA-N
XLogP9.89
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.90
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575
1-(2-Tert-butylphenyl)pyrrole-2,5-diol
CID 90922955
1-(3-Methylphenyl)pyrrole-2,5-diol
CID 91072733
3-(Fluoromethyl)-1-(5-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 53787699
1-(2,6-Dimethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 53995663
1-(2,6-Diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 54311203
3-(Fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 54504496
1-(2,6-Dimethylphenyl)pyrrole-2,5-diol
CID 91015148
1-(2,4-Dimethylphenyl)pyrrole-2,5-diol
CID 91425335
tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane
CID 10990281
1-(4-Ethylphenyl)-3-octadecylpyrrole-2,5-diol
CID 53947660
3-Dodecyl-1-phenylpyrrole-2,5-diol
CID 54114174

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane (CID 15325864) is [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane is Cc1ccccc1-n1c(O[Si](C(C)C)(C(C)C)C(C)C)ccc1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ILCXRUJDJIOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO2Si2/c1-20(2)33(21(3)4,22(5)6)31-28-18-19-29(30(28)27-17-15-14-16-26(27)13)32-34(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3.
What are the key properties of [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
[1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 501.90 g/mol, XLogP of 9.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15325864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).