4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

C13H24O2Si — CID 13283231

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1C=CC(=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3
InChIKeyYDRYOPZEVQDTBU-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 13283231) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
PubChem CID13283231
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1C=CC(=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3
InChIKeyYDRYOPZEVQDTBU-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 13283231) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OCC1C=CC(=O)CC1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The InChIKey is YDRYOPZEVQDTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 13283231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).