3-methyl-2-trimethylsilylcyclopent-2-en-1-one

C9H16OSi — CID 592669

IUPAC3-methyl-2-trimethylsilylcyclopent-2-en-1-one
SMILESCC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C9H16OSi/c1-7-5-6-8(10)9(7)11(2,3)4/h5-6H2,1-4H3
InChIKeyNIOPFQQBAOLRLE-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.54
Rot. Bonds1

About 3-methyl-2-trimethylsilylcyclopent-2-en-1-one

3-methyl-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 592669) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-methyl-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID592669
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-methyl-2-trimethylsilylcyclopent-2-en-1-one
SMILESCC1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C9H16OSi/c1-7-5-6-8(10)9(7)11(2,3)4/h5-6H2,1-4H3
InChIKeyNIOPFQQBAOLRLE-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.54
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 3-methyl-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-trimethylsilylcyclopent-2-en-1-one (CID 592669) is 3-methyl-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-trimethylsilylcyclopent-2-en-1-one is CC1=C([Si](C)(C)C)C(=O)CC1.
What is the InChIKey of 3-methyl-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is NIOPFQQBAOLRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-7-5-6-8(10)9(7)11(2,3)4/h5-6H2,1-4H3.
What are the key properties of 3-methyl-2-trimethylsilylcyclopent-2-en-1-one?
3-methyl-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 168.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 592669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).