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

C11H22OSi — CID 10012983

IUPAC1-[(1R,2S,3R)-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-JMJZKYOTSA-N
MW198.38 g/mol
LogP3.33
Rot. Bonds2

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

1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone (PubChem CID 10012983) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
PubChem CID10012983
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-[(1R,2S,3R)-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-JMJZKYOTSA-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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Related Compounds

3-Methyl-2-pentylcyclopentan-1-one
CID 114453
trans-1-Acetyl-2-methylcyclopentane
CID 138004
Ethanone, 1-(2-methylcyclopentyl)-, trans-
CID 229504
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one
CID 11009208
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
1-[(1S,2S)-2-(2-oxopropyl)cyclopentyl]propan-2-one
CID 101931286
cis-1-Acetyl-2-methylcyclopentane
CID 12734620
trans-3-Methyl-2-pentylcyclopentanone
CID 12861280
trans-(2R,3S)-2-methyl-3-octylcyclopentan-1-one
CID 10822367
2-Ethyl-3-methylcyclopentan-1-one
CID 12322360

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone (CID 10012983) is 1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S,3R)-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-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
The InChIKey is DUBVBSXLYVLPJM-JMJZKYOTSA-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-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone?
1-[(1R,2S,3R)-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-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone is sourced from PubChem (CID 10012983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).