(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one

C11H18OSi — CID 11194896

IUPAC(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESC[Si](C)(C)C#C[C@@H]1CCCC(=O)C1
InChIInChI=1S/C11H18OSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h10H,4-6,9H2,1-3H3/t10-/m0/s1
InChIKeyDZLLHRVUHRXLFB-JTQLQIEISA-N
MW194.35 g/mol
LogP2.63
Rot. Bonds

About (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one

(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one (PubChem CID 11194896) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
PubChem CID11194896
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESC[Si](C)(C)C#C[C@@H]1CCCC(=O)C1
InChIInChI=1S/C11H18OSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h10H,4-6,9H2,1-3H3/t10-/m0/s1
InChIKeyDZLLHRVUHRXLFB-JTQLQIEISA-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

Silane, (cyclohexylcarbonyl)trimethyl-
CID 10954223
1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
2-Pent-1-ynylcyclohexan-1-one
CID 13552138
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
3-Pent-1-ynylcyclohexan-1-one
CID 10558965
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one (CID 11194896) is (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one is C[Si](C)(C)C#C[C@@H]1CCCC(=O)C1.
What is the InChIKey of (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The InChIKey is DZLLHRVUHRXLFB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18OSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h10H,4-6,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-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 (3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one is sourced from PubChem (CID 11194896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).