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

C13H26OSi — CID 10398810

IUPAC2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one
SMILESCC[Si](C)(CC)CCC1CCCCC1=O
InChIInChI=1S/C13H26OSi/c1-4-15(3,5-2)11-10-12-8-6-7-9-13(12)14/h12H,4-11H2,1-3H3
InChIKeyIOTLEVKSOBLWMN-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.25
Rot. Bonds5

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

2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one (PubChem CID 10398810) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one
PubChem CID10398810
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one
SMILESCC[Si](C)(CC)CCC1CCCCC1=O
InChIInChI=1S/C13H26OSi/c1-4-15(3,5-2)11-10-12-8-6-7-9-13(12)14/h12H,4-11H2,1-3H3
InChIKeyIOTLEVKSOBLWMN-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Propylcyclohexanone
CID 142482
Cyclohexanone, 2-propyl-
CID 7199
1-Cyclohexylpropan-1-one
CID 70748
1-Cyclohexylbutan-1-one
CID 73832
4-Cyclohexylbutan-2-one
CID 536973
Cyclohexylacetone
CID 66899
4-Butylcyclohexanone
CID 543708
1-Propanone, 1-cyclohexyl-2-methyl-
CID 70767
Cyclohexanone, 2-hexyl-
CID 91237
Cyclohexanone, 2-pentyl-
CID 122547
1-Cyclohexylbutan-2-one
CID 11469192
2-Butylcyclohexanone
CID 70771

Frequently Asked Questions

What is the IUPAC name of 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one (CID 10398810) is 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one is CC[Si](C)(CC)CCC1CCCCC1=O.
What is the InChIKey of 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one?
The InChIKey is IOTLEVKSOBLWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-4-15(3,5-2)11-10-12-8-6-7-9-13(12)14/h12H,4-11H2,1-3H3.
What are the key properties of 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one?
2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[diethyl(methyl)silyl]ethyl]cyclohexan-1-one is sourced from PubChem (CID 10398810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).