2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one

C15H28O2Si — CID 67079204

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one
SMILESCC1(C)CCC(=O)C(=CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-11-12-10-15(4,5)9-8-13(12)16/h11H,8-10H2,1-7H3
InChIKeyZYFSRJFYQOEGBW-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.67
Rot. Bonds2

About 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one

2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one (PubChem CID 67079204) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one
PubChem CID67079204
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one
SMILESCC1(C)CCC(=O)C(=CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-11-12-10-15(4,5)9-8-13(12)16/h11H,8-10H2,1-7H3
InChIKeyZYFSRJFYQOEGBW-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one (CID 67079204) is 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one is CC1(C)CCC(=O)C(=CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one?
The InChIKey is ZYFSRJFYQOEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-11-12-10-15(4,5)9-8-13(12)16/h11H,8-10H2,1-7H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one?
2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one is sourced from PubChem (CID 67079204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).