3-amino-5-trimethylsilylphenol

C9H15NOSi — CID 150605084

IUPAC3-amino-5-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(N)cc(O)c1
InChIInChI=1S/C9H15NOSi/c1-12(2,3)9-5-7(10)4-8(11)6-9/h4-6,11H,10H2,1-3H3
InChIKeyISRWWZBKFRQBHB-UHFFFAOYSA-N
MW181.31 g/mol
LogP1.52
Rot. Bonds1

About 3-amino-5-trimethylsilylphenol

3-amino-5-trimethylsilylphenol (PubChem CID 150605084) has the molecular formula C9H15NOSi and a molecular weight of 181.31 g/mol. Its IUPAC name is 3-amino-5-trimethylsilylphenol.

Molecular Properties

Compound Name3-amino-5-trimethylsilylphenol
PubChem CID150605084
Molecular FormulaC9H15NOSi
Molecular Weight181.31 g/mol
Exact Mass181.09
IUPAC Name3-amino-5-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(N)cc(O)c1
InChIInChI=1S/C9H15NOSi/c1-12(2,3)9-5-7(10)4-8(11)6-9/h4-6,11H,10H2,1-3H3
InChIKeyISRWWZBKFRQBHB-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-trimethylsilylphenol?
The IUPAC name of 3-amino-5-trimethylsilylphenol (CID 150605084) is 3-amino-5-trimethylsilylphenol.
What is the SMILES notation for 3-amino-5-trimethylsilylphenol?
The canonical SMILES for 3-amino-5-trimethylsilylphenol is C[Si](C)(C)c1cc(N)cc(O)c1.
What is the InChIKey of 3-amino-5-trimethylsilylphenol?
The InChIKey is ISRWWZBKFRQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOSi/c1-12(2,3)9-5-7(10)4-8(11)6-9/h4-6,11H,10H2,1-3H3.
What are the key properties of 3-amino-5-trimethylsilylphenol?
3-amino-5-trimethylsilylphenol has a molecular weight of 181.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-trimethylsilylphenol is sourced from PubChem (CID 150605084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).