4-trimethylsilylcyclohexan-1-one

C9H18OSi — CID 4060849

IUPAC4-trimethylsilylcyclohexan-1-one
SMILESC[Si](C)(C)C1CCC(=O)CC1
InChIInChI=1S/C9H18OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3
InChIKeyHBLRCPXWWKKKMN-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.84
Rot. Bonds1

About 4-trimethylsilylcyclohexan-1-one

4-trimethylsilylcyclohexan-1-one (PubChem CID 4060849) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 4-trimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name4-trimethylsilylcyclohexan-1-one
PubChem CID4060849
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name4-trimethylsilylcyclohexan-1-one
SMILESC[Si](C)(C)C1CCC(=O)CC1
InChIInChI=1S/C9H18OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3
InChIKeyHBLRCPXWWKKKMN-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.84
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 4-trimethylsilylcyclohexan-1-one?
The IUPAC name of 4-trimethylsilylcyclohexan-1-one (CID 4060849) is 4-trimethylsilylcyclohexan-1-one.
What is the SMILES notation for 4-trimethylsilylcyclohexan-1-one?
The canonical SMILES for 4-trimethylsilylcyclohexan-1-one is C[Si](C)(C)C1CCC(=O)CC1.
What is the InChIKey of 4-trimethylsilylcyclohexan-1-one?
The InChIKey is HBLRCPXWWKKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3.
What are the key properties of 4-trimethylsilylcyclohexan-1-one?
4-trimethylsilylcyclohexan-1-one has a molecular weight of 170.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylcyclohexan-1-one is sourced from PubChem (CID 4060849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).