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

C15H26OSi — CID 52921058

IUPAC(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESCC(C)C[C@]1(C#C[Si](C)(C)C)CCCC(=O)C1
InChIInChI=1S/C15H26OSi/c1-13(2)11-15(9-10-17(3,4)5)8-6-7-14(16)12-15/h13H,6-8,11-12H2,1-5H3/t15-/m1/s1
InChIKeyCSUVHAKZPZOARC-OAHLLOKOSA-N
MW250.46 g/mol
LogP4.04
Rot. Bonds2

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

(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one (PubChem CID 52921058) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
PubChem CID52921058
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
SMILESCC(C)C[C@]1(C#C[Si](C)(C)C)CCCC(=O)C1
InChIInChI=1S/C15H26OSi/c1-13(2)11-15(9-10-17(3,4)5)8-6-7-14(16)12-15/h13H,6-8,11-12H2,1-5H3/t15-/m1/s1
InChIKeyCSUVHAKZPZOARC-OAHLLOKOSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.04
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-2-(trimethylsilyl)ethanone
CID 552815
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
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896
3-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-one
CID 12885229
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
(3S)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 44632134

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one (CID 52921058) is (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one is CC(C)C[C@]1(C#C[Si](C)(C)C)CCCC(=O)C1.
What is the InChIKey of (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
The InChIKey is CSUVHAKZPZOARC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26OSi/c1-13(2)11-15(9-10-17(3,4)5)8-6-7-14(16)12-15/h13H,6-8,11-12H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one?
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one has a molecular weight of 250.46 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one is sourced from PubChem (CID 52921058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).