1-cyclohexyl-2-trimethylsilylethanone

C11H22OSi — CID 552815

IUPAC1-cyclohexyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)CC(=O)C1CCCCC1
InChIInChI=1S/C11H22OSi/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyKCMSGVURQWEYAE-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.47
Rot. Bonds3

About 1-cyclohexyl-2-trimethylsilylethanone

1-cyclohexyl-2-trimethylsilylethanone (PubChem CID 552815) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-trimethylsilylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-trimethylsilylethanone
PubChem CID552815
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-cyclohexyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)CC(=O)C1CCCCC1
InChIInChI=1S/C11H22OSi/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyKCMSGVURQWEYAE-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-trimethylsilylethanone?
The IUPAC name of 1-cyclohexyl-2-trimethylsilylethanone (CID 552815) is 1-cyclohexyl-2-trimethylsilylethanone.
What is the SMILES notation for 1-cyclohexyl-2-trimethylsilylethanone?
The canonical SMILES for 1-cyclohexyl-2-trimethylsilylethanone is C[Si](C)(C)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-trimethylsilylethanone?
The InChIKey is KCMSGVURQWEYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-trimethylsilylethanone?
1-cyclohexyl-2-trimethylsilylethanone has a molecular weight of 198.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-trimethylsilylethanone is sourced from PubChem (CID 552815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).