5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one

C12H22O2Si — CID 173083823

IUPAC5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one
SMILESC[SiH](C)OC1=CCC(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)9-6-7-11(10(13)8-9)14-15(4)5/h7,9,15H,6,8H2,1-5H3
InChIKeyTVGNQGUDNVAGMS-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.90
Rot. Bonds2

About 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one

5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one (PubChem CID 173083823) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one
PubChem CID173083823
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one
SMILESC[SiH](C)OC1=CCC(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)9-6-7-11(10(13)8-9)14-15(4)5/h7,9,15H,6,8H2,1-5H3
InChIKeyTVGNQGUDNVAGMS-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one (CID 173083823) is 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one is C[SiH](C)OC1=CCC(C(C)(C)C)CC1=O.
What is the InChIKey of 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is TVGNQGUDNVAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)9-6-7-11(10(13)8-9)14-15(4)5/h7,9,15H,6,8H2,1-5H3.
What are the key properties of 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one?
5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-dimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 173083823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).