(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol

C23H37NOSi — CID 11793610

IUPAC(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
SMILESCc1cc(C)c(C(O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C)c1
InChIInChI=1S/C23H37NOSi/c1-15(2)26(16(3)4,17(5)6)24-11-10-21(14-24)23(25)22-19(8)12-18(7)13-20(22)9/h10-17,23,25H,1-9H3
InChIKeyFWJKDLYNLFMUER-UHFFFAOYSA-N
MW371.64 g/mol
LogP6.52
Rot. Bonds6

About (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol

(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol (PubChem CID 11793610) has the molecular formula C23H37NOSi and a molecular weight of 371.64 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
PubChem CID11793610
Molecular FormulaC23H37NOSi
Molecular Weight371.64 g/mol
Exact Mass371.26
IUPAC Name(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
SMILESCc1cc(C)c(C(O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C)c1
InChIInChI=1S/C23H37NOSi/c1-15(2)26(16(3)4,17(5)6)24-11-10-21(14-24)23(25)22-19(8)12-18(7)13-20(22)9/h10-17,23,25H,1-9H3
InChIKeyFWJKDLYNLFMUER-UHFFFAOYSA-N
XLogP6.52
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The IUPAC name of (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol (CID 11793610) is (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol.
What is the SMILES notation for (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The canonical SMILES for (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol is Cc1cc(C)c(C(O)c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The InChIKey is FWJKDLYNLFMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NOSi/c1-15(2)26(16(3)4,17(5)6)24-11-10-21(14-24)23(25)22-19(8)12-18(7)13-20(22)9/h10-17,23,25H,1-9H3.
What are the key properties of (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
(2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol has a molecular weight of 371.64 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol is sourced from PubChem (CID 11793610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).