methyl-oxo-phenylsilane

C7H8OSi — CID 3032548

IUPACmethyl-oxo-phenylsilane
SMILESC[Si](=O)c1ccccc1
InChIInChI=1S/C7H8OSi/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIXKNJYSAWNJQQY-UHFFFAOYSA-N
MW136.23 g/mol
LogP0.95
Rot. Bonds1

About methyl-oxo-phenylsilane

methyl-oxo-phenylsilane (PubChem CID 3032548) has the molecular formula C7H8OSi and a molecular weight of 136.23 g/mol. Its IUPAC name is methyl-oxo-phenylsilane.

Molecular Properties

Compound Namemethyl-oxo-phenylsilane
PubChem CID3032548
Molecular FormulaC7H8OSi
Molecular Weight136.23 g/mol
Exact Mass136.03
IUPAC Namemethyl-oxo-phenylsilane
SMILESC[Si](=O)c1ccccc1
InChIInChI=1S/C7H8OSi/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIXKNJYSAWNJQQY-UHFFFAOYSA-N
XLogP0.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methyl-oxo-phenylsilane?
The IUPAC name of methyl-oxo-phenylsilane (CID 3032548) is methyl-oxo-phenylsilane.
What is the SMILES notation for methyl-oxo-phenylsilane?
The canonical SMILES for methyl-oxo-phenylsilane is C[Si](=O)c1ccccc1.
What is the InChIKey of methyl-oxo-phenylsilane?
The InChIKey is IXKNJYSAWNJQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OSi/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methyl-oxo-phenylsilane?
methyl-oxo-phenylsilane has a molecular weight of 136.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenylsilane is sourced from PubChem (CID 3032548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).