4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one

C13H26O3Si — CID 139758434

IUPAC4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one
SMILESCCO[Si](C)(CCC1CCC(=O)CC1)OCC
InChIInChI=1S/C13H26O3Si/c1-4-15-17(3,16-5-2)11-10-12-6-8-13(14)9-7-12/h12H,4-11H2,1-3H3
InChIKeyNPNZDJAMLKWIPU-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.28
Rot. Bonds7

About 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one

4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one (PubChem CID 139758434) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one
PubChem CID139758434
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one
SMILESCCO[Si](C)(CCC1CCC(=O)CC1)OCC
InChIInChI=1S/C13H26O3Si/c1-4-15-17(3,16-5-2)11-10-12-6-8-13(14)9-7-12/h12H,4-11H2,1-3H3
InChIKeyNPNZDJAMLKWIPU-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.28
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

1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
trans-(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-propan-2-ylcyclohexan-1-one
CID 101831608
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-one
CID 134857745
2-(3-Oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 134889971
2-[4-[Tert-butyl(dimethyl)silyl]oxybut-2-ynyl]cyclohexan-1-one
CID 139254997
3-[2-[Fluoro(dimethyl)silyl]ethyl]cyclohexan-1-one
CID 10726818
2-[3-[Fluoro(dimethyl)silyl]propyl]cyclohexan-1-one
CID 100977891

Frequently Asked Questions

What is the IUPAC name of 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one (CID 139758434) is 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one is CCO[Si](C)(CCC1CCC(=O)CC1)OCC.
What is the InChIKey of 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one?
The InChIKey is NPNZDJAMLKWIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-4-15-17(3,16-5-2)11-10-12-6-8-13(14)9-7-12/h12H,4-11H2,1-3H3.
What are the key properties of 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one?
4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one has a molecular weight of 258.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[diethoxy(methyl)silyl]ethyl]cyclohexan-1-one is sourced from PubChem (CID 139758434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).