[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane

C29H51NO3Si2 — CID 15325863

IUPAC[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
SMILESCOc1ccc(-n2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc2O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C29H51NO3Si2/c1-20(2)34(21(3)4,22(5)6)32-28-18-19-29(30(28)26-14-16-27(31-13)17-15-26)33-35(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3
InChIKeyBAIVMGOOFODWDT-UHFFFAOYSA-N
MW517.90 g/mol
LogP9.59
Rot. Bonds12

About [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane

[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15325863) has the molecular formula C29H51NO3Si2 and a molecular weight of 517.90 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID15325863
Molecular FormulaC29H51NO3Si2
Molecular Weight517.90 g/mol
Exact Mass517.34
IUPAC Name[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane
SMILESCOc1ccc(-n2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc2O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C29H51NO3Si2/c1-20(2)34(21(3)4,22(5)6)32-28-18-19-29(30(28)26-14-16-27(31-13)17-15-26)33-35(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3
InChIKeyBAIVMGOOFODWDT-UHFFFAOYSA-N
XLogP9.59
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.90
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
3-chloro-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63383869
1-[5-(chloromethyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83967981
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
CID 15908643
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
CID 19754215
tri(propan-2-yl)-(4-propan-2-ylphenoxy)silane
CID 170637474
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane (CID 15325863) is [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane is COc1ccc(-n2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc2O[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is BAIVMGOOFODWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO3Si2/c1-20(2)34(21(3)4,22(5)6)32-28-18-19-29(30(28)26-14-16-27(31-13)17-15-26)33-35(23(7)8,24(9)10)25(11)12/h14-25H,1-13H3.
What are the key properties of [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane?
[1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 517.90 g/mol, XLogP of 9.59, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-tri(propan-2-yl)silyloxypyrrol-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15325863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).