3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one

C12H24OSi — CID 10536527

IUPAC3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one
SMILESC[C@H]1CC[C@H](CCC(=O)[Si](C)(C)C)C1
InChIInChI=1S/C12H24OSi/c1-10-5-6-11(9-10)7-8-12(13)14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyTYMQKRKZJIEYPI-WDEREUQCSA-N
MW212.41 g/mol
LogP3.65
Rot. Bonds4

About 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one

3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one (PubChem CID 10536527) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one.

Molecular Properties

Compound Name3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one
PubChem CID10536527
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one
SMILESC[C@H]1CC[C@H](CCC(=O)[Si](C)(C)C)C1
InChIInChI=1S/C12H24OSi/c1-10-5-6-11(9-10)7-8-12(13)14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyTYMQKRKZJIEYPI-WDEREUQCSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.65
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

2-Cyclohexyl-1-trimethylsilylethanone
CID 11041745
3-Ethyl-1-trimethylsilylheptan-1-one
CID 13601209
(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one
CID 135049503
2-(2-Trimethylsilylethyl)cyclopentan-1-one
CID 10397502
2-(3-Trimethylsilylpropyl)cyclopentan-1-one
CID 10397850
2-Methyl-4-(trimethylsilylmethyl)octan-3-one
CID 14902792
(3-Cyclopentyl-3-oxopropyl)-dimethylsilanylium
CID 163541783
4-Ethyl-7-methyl-3-trimethylsilyloctan-2-one
CID 174887249
1-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
CID 9991905
1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10012983
1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10035641
1-[(1S,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10035642

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one?
The IUPAC name of 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one (CID 10536527) is 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one.
What is the SMILES notation for 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one?
The canonical SMILES for 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one is C[C@H]1CC[C@H](CCC(=O)[Si](C)(C)C)C1.
What is the InChIKey of 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one?
The InChIKey is TYMQKRKZJIEYPI-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10-5-6-11(9-10)7-8-12(13)14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one?
3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one is sourced from PubChem (CID 10536527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).