1-cyclohexyl-3-trimethylsilylpropan-1-one

C12H24OSi — CID 13225588

IUPAC1-cyclohexyl-3-trimethylsilylpropan-1-one
SMILESC[Si](C)(C)CCC(=O)C1CCCCC1
InChIInChI=1S/C12H24OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyWXSKEVMLWUAAKB-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclohexyl-3-trimethylsilylpropan-1-one

1-cyclohexyl-3-trimethylsilylpropan-1-one (PubChem CID 13225588) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-trimethylsilylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-trimethylsilylpropan-1-one
PubChem CID13225588
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name1-cyclohexyl-3-trimethylsilylpropan-1-one
SMILESC[Si](C)(C)CCC(=O)C1CCCCC1
InChIInChI=1S/C12H24OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyWXSKEVMLWUAAKB-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.86
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 1-cyclohexyl-3-trimethylsilylpropan-1-one?
The IUPAC name of 1-cyclohexyl-3-trimethylsilylpropan-1-one (CID 13225588) is 1-cyclohexyl-3-trimethylsilylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-trimethylsilylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-3-trimethylsilylpropan-1-one is C[Si](C)(C)CCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-trimethylsilylpropan-1-one?
The InChIKey is WXSKEVMLWUAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-trimethylsilylpropan-1-one?
1-cyclohexyl-3-trimethylsilylpropan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-trimethylsilylpropan-1-one is sourced from PubChem (CID 13225588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).