(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one

C13H26O2Si — CID 10900818

IUPAC(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one
SMILESC[C@H]1CCC(C(C)(C)O[Si](C)(C)C)C(=O)C1
InChIInChI=1S/C13H26O2Si/c1-10-7-8-11(12(14)9-10)13(2,3)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyFZPUHNBDAMZTJJ-VUWPPUDQSA-N
MW242.43 g/mol
LogP3.62
Rot. Bonds3

About (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one

(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one (PubChem CID 10900818) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one
PubChem CID10900818
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one
SMILESC[C@H]1CCC(C(C)(C)O[Si](C)(C)C)C(=O)C1
InChIInChI=1S/C13H26O2Si/c1-10-7-8-11(12(14)9-10)13(2,3)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyFZPUHNBDAMZTJJ-VUWPPUDQSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-Hydroxy-p-menthan-3-one
CID 3014189
8-Hydroxymenthone
CID 13614904
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510
(9aS)-9a-trimethylsilyloxy-2,3,4,4a,6,7,8,9-octahydro-1H-benzo[7]annulen-5-one
CID 154709022
CID 154709384
CID 154709384
CID 164684546
CID 164684546
trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one
CID 10443779

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one?
The IUPAC name of (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one (CID 10900818) is (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one?
The canonical SMILES for (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one is C[C@H]1CCC(C(C)(C)O[Si](C)(C)C)C(=O)C1.
What is the InChIKey of (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one?
The InChIKey is FZPUHNBDAMZTJJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10-7-8-11(12(14)9-10)13(2,3)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11?/m0/s1.
What are the key properties of (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one?
(5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-(2-trimethylsilyloxypropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 10900818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).