2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one

C17H28OSi2 — CID 11347277

IUPAC2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CCC1CCC(CC#C[Si](C)(C)C)C1=O
InChIInChI=1S/C17H28OSi2/c1-19(2,3)13-7-9-15-11-12-16(17(15)18)10-8-14-20(4,5)6/h15-16H,9-12H2,1-6H3
InChIKeyAFKYPNXKQPLABO-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.12
Rot. Bonds2

About 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one

2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one (PubChem CID 11347277) has the molecular formula C17H28OSi2 and a molecular weight of 304.58 g/mol. Its IUPAC name is 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
PubChem CID11347277
Molecular FormulaC17H28OSi2
Molecular Weight304.58 g/mol
Exact Mass304.17
IUPAC Name2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CCC1CCC(CC#C[Si](C)(C)C)C1=O
InChIInChI=1S/C17H28OSi2/c1-19(2,3)13-7-9-15-11-12-16(17(15)18)10-8-14-20(4,5)6/h15-16H,9-12H2,1-6H3
InChIKeyAFKYPNXKQPLABO-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.12
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
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279
(3S)-3-methyl-1-tri(propan-2-yl)silyldec-1-yn-5-one
CID 135000549
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2-(3-Trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11159881
2-(3-Trimethylsilylprop-2-ynyl)cycloheptan-1-one
CID 11436008
1-Cyclopentyl-5-trimethylsilanyl-pent-4-yn-1-one
CID 21938587
1-Cycloheptyl-3-(trimethylsilyl)-2-propyn-1-one
CID 69292130
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentan-1-one
CID 10537031
1-[Tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one
CID 10825813
1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone
CID 10859440
3-[1-[Tert-butyl(dimethyl)silyl]pentyl]cyclopentan-1-one
CID 11230979

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The IUPAC name of 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one (CID 11347277) is 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one.
What is the SMILES notation for 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The canonical SMILES for 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one is C[Si](C)(C)C#CCC1CCC(CC#C[Si](C)(C)C)C1=O.
What is the InChIKey of 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
The InChIKey is AFKYPNXKQPLABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OSi2/c1-19(2,3)13-7-9-15-11-12-16(17(15)18)10-8-14-20(4,5)6/h15-16H,9-12H2,1-6H3.
What are the key properties of 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one?
2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one has a molecular weight of 304.58 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one is sourced from PubChem (CID 11347277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).