4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one

C13H26OSi — CID 10751752

IUPAC4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one
SMILESC[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11-7-5-8-12(11)9-6-10-13(14)15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyJWDDMVDTGSLRRS-RYUDHWBXSA-N
MW226.44 g/mol
LogP4.04
Rot. Bonds5

About 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one

4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one (PubChem CID 10751752) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one
PubChem CID10751752
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one
SMILESC[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11-7-5-8-12(11)9-6-10-13(14)15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyJWDDMVDTGSLRRS-RYUDHWBXSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.04
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-Ethyl-1-trimethylsilylheptan-1-one
CID 13601209
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
(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
(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
1-[(1R,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10330373

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one?
The IUPAC name of 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one (CID 10751752) is 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one.
What is the SMILES notation for 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one?
The canonical SMILES for 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one is C[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C.
What is the InChIKey of 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one?
The InChIKey is JWDDMVDTGSLRRS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-7-5-8-12(11)9-6-10-13(14)15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one?
4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 10751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).