2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one

C13H18O2Si — CID 11085727

IUPAC2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKeyMWKNWKOLPUBZJW-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.72
Rot. Bonds4

About 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one

2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one (PubChem CID 11085727) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one
PubChem CID11085727
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKeyMWKNWKOLPUBZJW-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one (CID 11085727) is 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one is C=C(C(=O)[Si](C)(C)C)C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one?
The InChIKey is MWKNWKOLPUBZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3.
What are the key properties of 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one?
2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one has a molecular weight of 234.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-1-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 11085727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).