3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one

C11H18OSi — CID 10774214

IUPAC3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESCC1(C#C[Si](C)(C)C)CCC(=O)C1
InChIInChI=1S/C11H18OSi/c1-11(6-5-10(12)9-11)7-8-13(2,3)4/h5-6,9H2,1-4H3
InChIKeyOJLLIQNSXILGID-UHFFFAOYSA-N
MW194.35 g/mol
LogP2.63
Rot. Bonds

About 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one

3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one (PubChem CID 10774214) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one
PubChem CID10774214
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESCC1(C#C[Si](C)(C)C)CCC(=O)C1
InChIInChI=1S/C11H18OSi/c1-11(6-5-10(12)9-11)7-8-13(2,3)4/h5-6,9H2,1-4H3
InChIKeyOJLLIQNSXILGID-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
3-[Tert-butyl(dimethyl)silyl]-3-methylcyclopentan-1-one
CID 85598144
3-(Trimethylsilylmethyl)cyclopentan-1-one
CID 122216044
(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
CID 135000672
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2,2-Dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
CID 166438595
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
CID 10658901
2,2,4-Trimethyl-4-trimethylsilylethynylcyclopentane-1,3-dione
CID 551038
2-(3-Trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11159881
1-Cyclopentyl-5-trimethylsilanyl-pent-4-yn-1-one
CID 21938587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one (CID 10774214) is 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one is CC1(C#C[Si](C)(C)C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one?
The InChIKey is OJLLIQNSXILGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi/c1-11(6-5-10(12)9-11)7-8-13(2,3)4/h5-6,9H2,1-4H3.
What are the key properties of 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one?
3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one has a molecular weight of 194.35 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one is sourced from PubChem (CID 10774214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).