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

C12H22O2Si — CID 11345167

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,11H,7,9H2,1-5H3
InChIKeyYBAZWYDRNMPFPN-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (PubChem CID 11345167) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
PubChem CID11345167
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,11H,7,9H2,1-5H3
InChIKeyYBAZWYDRNMPFPN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 11230203
5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 12666238
4-((tert-Butyldimethylsilyl)oxy)-3-methylcyclohex-2-en-1-one
CID 12666239
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 15410931

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (CID 11345167) is 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The InChIKey is YBAZWYDRNMPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,11H,7,9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 2 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]oxycyclohex-2-en-1-one is sourced from PubChem (CID 11345167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).