2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one

C11H18OSi — CID 11159881

IUPAC2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CCC1CCCC1=O
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h10H,4,6-8H2,1-3H3
InChIKeyLXJBVPRQQMZFTE-UHFFFAOYSA-N
MW194.35 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one

2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one (PubChem CID 11159881) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
PubChem CID11159881
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CCC1CCCC1=O
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h10H,4,6-8H2,1-3H3
InChIKeyLXJBVPRQQMZFTE-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Cyclopentanone, 2-(2-pentyn-1-yl)-
CID 92631
1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
2-Hept-2-ynylcyclopentan-1-one
CID 13843346
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
(3S)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 44632134
3-(Trimethylsilylmethyl)heptan-2-one
CID 85613691

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The IUPAC name of 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one (CID 11159881) is 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one is C[Si](C)(C)C#CCC1CCCC1=O.
What is the InChIKey of 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The InChIKey is LXJBVPRQQMZFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h10H,4,6-8H2,1-3H3.
What are the key properties of 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one has a molecular weight of 194.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one is sourced from PubChem (CID 11159881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).