2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one

C12H22O2Si — CID 11746339

IUPAC2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCCCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h9H,6-8H2,1-5H3
InChIKeyQOWHMUWLHGVKAT-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.65
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one

2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (PubChem CID 11746339) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
PubChem CID11746339
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCCCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h9H,6-8H2,1-5H3
InChIKeyQOWHMUWLHGVKAT-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 11615972
2-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 21181990
3-[(Trimethylsilyl)oxy]cyclohex-2-en-1-one
CID 12540647
(Z)-6-trimethylsilyloxydec-6-en-5-one
CID 10562167
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 53497040
2-Trimethylsilyloxycyclohex-2-en-1-one
CID 12921385
2-[Butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 18426956
3-Methyl-2-trimethylsilyloxycyclopent-2-en-1-one
CID 20164019
2-Triethylsilyloxycyclopent-2-en-1-one
CID 139690364
2-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 85605373
CID 102382208
CID 102382208

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (CID 11746339) is 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC1=CCCCC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The InChIKey is QOWHMUWLHGVKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h9H,6-8H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.65, 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]oxycyclohex-2-en-1-one is sourced from PubChem (CID 11746339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).