2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one

C13H26O2Si — CID 19379289

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h11H,6-10H2,1-5H3
InChIKeyCDADUFJKAZTTKR-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one (PubChem CID 19379289) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
PubChem CID19379289
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h11H,6-10H2,1-5H3
InChIKeyCDADUFJKAZTTKR-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one (CID 19379289) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OCC1CCCCC1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one?
The InChIKey is CDADUFJKAZTTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h11H,6-10H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.77, 3 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]oxymethyl]cyclohexan-1-one is sourced from PubChem (CID 19379289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).