(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one

C15H26OSi — CID 162494851

IUPAC(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one
SMILESCC[Si](C#C[C@@]1(C)CCCCC1=O)(CC)CC
InChIInChI=1S/C15H26OSi/c1-5-17(6-2,7-3)13-12-15(4)11-9-8-10-14(15)16/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyWDUULAAVFYXSMI-OAHLLOKOSA-N
MW250.46 g/mol
LogP4.19
Rot. Bonds3

About (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one

(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one (PubChem CID 162494851) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one
PubChem CID162494851
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one
SMILESCC[Si](C#C[C@@]1(C)CCCCC1=O)(CC)CC
InChIInChI=1S/C15H26OSi/c1-5-17(6-2,7-3)13-12-15(4)11-9-8-10-14(15)16/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyWDUULAAVFYXSMI-OAHLLOKOSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.19
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-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
2-But-2-ynyl-2-methylcyclohexan-1-one
CID 13308710
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
(3S)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 44632134
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one (CID 162494851) is (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one is CC[Si](C#C[C@@]1(C)CCCCC1=O)(CC)CC.
What is the InChIKey of (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one?
The InChIKey is WDUULAAVFYXSMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26OSi/c1-5-17(6-2,7-3)13-12-15(4)11-9-8-10-14(15)16/h5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one?
(2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one has a molecular weight of 250.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexan-1-one is sourced from PubChem (CID 162494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).