1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone

C13H24OSi — CID 13095616

IUPAC1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone
SMILESCC(=O)[C@@]1(C)C(C)=C([Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/C13H24OSi/c1-9-8-12(15(5,6)7)10(2)13(9,4)11(3)14/h9H,8H2,1-7H3/t9-,13+/m0/s1
InChIKeyNHGXWBIHXYYEOP-TVQRCGJNSA-N
MW224.42 g/mol
LogP3.82
Rot. Bonds2

About 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone

1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone (PubChem CID 13095616) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone
PubChem CID13095616
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone
SMILESCC(=O)[C@@]1(C)C(C)=C([Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/C13H24OSi/c1-9-8-12(15(5,6)7)10(2)13(9,4)11(3)14/h9H,8H2,1-7H3/t9-,13+/m0/s1
InChIKeyNHGXWBIHXYYEOP-TVQRCGJNSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.82
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 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone (CID 13095616) is 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone is CC(=O)[C@@]1(C)C(C)=C([Si](C)(C)C)C[C@@H]1C.
What is the InChIKey of 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone?
The InChIKey is NHGXWBIHXYYEOP-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H24OSi/c1-9-8-12(15(5,6)7)10(2)13(9,4)11(3)14/h9H,8H2,1-7H3/t9-,13+/m0/s1.
What are the key properties of 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone?
1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone has a molecular weight of 224.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 13095616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).