1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone

C11H22OSi — CID 10035641

IUPAC1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H]([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C11H22OSi/c1-8-10(9(2)12)6-7-11(8)13(3,4)5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11-/m0/s1
InChIKeyDUBVBSXLYVLPJM-LSJOCFKGSA-N
MW198.38 g/mol
LogP3.33
Rot. Bonds2

About 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone

1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone (PubChem CID 10035641) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
PubChem CID10035641
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H]([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C11H22OSi/c1-8-10(9(2)12)6-7-11(8)13(3,4)5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11-/m0/s1
InChIKeyDUBVBSXLYVLPJM-LSJOCFKGSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.33
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-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone (CID 10035641) is 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone is CC(=O)[C@H]1CC[C@H]([Si](C)(C)C)[C@H]1C.
What is the InChIKey of 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The InChIKey is DUBVBSXLYVLPJM-LSJOCFKGSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-10(9(2)12)6-7-11(8)13(3,4)5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone has a molecular weight of 198.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone is sourced from PubChem (CID 10035641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).