2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone

C14H28O2Si — CID 11357321

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
InChIKeyDQGQBMYUDMZKDG-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone (PubChem CID 11357321) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
PubChem CID11357321
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
InChIKeyDQGQBMYUDMZKDG-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.16
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

1-[(Tert-butyldimethylsilyl)oxy]cyclohexane-1-carbaldehyde
CID 13947339
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
CID 11344921
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 101697282
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone (CID 11357321) is 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone is CC(C)(C)[Si](C)(C)OCC(=O)C1CCCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone?
The InChIKey is DQGQBMYUDMZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone has a molecular weight of 256.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone is sourced from PubChem (CID 11357321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).