6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one

C18H32O3Si — CID 15091065

IUPAC6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)OC(CCCC(C)=O)C1CCC=CC1=O
InChIInChI=1S/C18H32O3Si/c1-5-22(6-2,7-3)21-18(14-10-11-15(4)19)16-12-8-9-13-17(16)20/h9,13,16,18H,5-8,10-12,14H2,1-4H3
InChIKeyCUQPJVNFKDTWQX-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.67
Rot. Bonds10

About 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one

6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one (PubChem CID 15091065) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one
PubChem CID15091065
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)OC(CCCC(C)=O)C1CCC=CC1=O
InChIInChI=1S/C18H32O3Si/c1-5-22(6-2,7-3)21-18(14-10-11-15(4)19)16-12-8-9-13-17(16)20/h9,13,16,18H,5-8,10-12,14H2,1-4H3
InChIKeyCUQPJVNFKDTWQX-UHFFFAOYSA-N
XLogP4.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
CID 10882441
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
1-[Tert-butyl(dimethyl)silyl]oxyspiro[4.5]dec-2-en-4-one
CID 102422283
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-prop-2-enylcyclohept-2-en-1-one
CID 134967159
2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 135019356
(3R,4S,5E,9S,11R)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-trimethylsilyloxytetradeca-5,13-dien-7-one
CID 135019578
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
(5R, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865208

Frequently Asked Questions

What is the IUPAC name of 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one?
The IUPAC name of 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one (CID 15091065) is 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one is CC[Si](CC)(CC)OC(CCCC(C)=O)C1CCC=CC1=O.
What is the InChIKey of 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one?
The InChIKey is CUQPJVNFKDTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-5-22(6-2,7-3)21-18(14-10-11-15(4)19)16-12-8-9-13-17(16)20/h9,13,16,18H,5-8,10-12,14H2,1-4H3.
What are the key properties of 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one?
6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one has a molecular weight of 324.54 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxo-1-triethylsilyloxyhexyl)cyclohex-2-en-1-one is sourced from PubChem (CID 15091065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).