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

C13H22OSi — CID 11436008

IUPAC2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one
SMILESC[Si](C)(C)C#CCC1CCCCCC1=O
InChIInChI=1S/C13H22OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-6,8-10H2,1-3H3
InChIKeyHFLIGTDRVBOIJM-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.41
Rot. Bonds1

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

2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one (PubChem CID 11436008) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one
PubChem CID11436008
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one
SMILESC[Si](C)(C)C#CCC1CCCCCC1=O
InChIInChI=1S/C13H22OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-6,8-10H2,1-3H3
InChIKeyHFLIGTDRVBOIJM-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.41
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-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
2-(Trimethylsilylmethyl)cycloheptan-1-one
CID 14085476
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279
1-Cyclohexyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 122380975
(3S)-3-methyl-1-tri(propan-2-yl)silyldec-1-yn-5-one
CID 135000549
2-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 154721374
2-(2-Trimethylsilylethyl)cycloheptan-1-one
CID 10242303
2-(3-Trimethylsilylpropyl)cycloheptan-1-one
CID 10263118
2-(3-Trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11159881
2,5-Bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11347277

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one?
The IUPAC name of 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one (CID 11436008) is 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one.
What is the SMILES notation for 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one?
The canonical SMILES for 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one is C[Si](C)(C)C#CCC1CCCCCC1=O.
What is the InChIKey of 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one?
The InChIKey is HFLIGTDRVBOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one?
2-(3-trimethylsilylprop-2-ynyl)cycloheptan-1-one has a molecular weight of 222.40 g/mol, XLogP of 3.41, 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)cycloheptan-1-one is sourced from PubChem (CID 11436008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).