(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one

C12H22O2Si — CID 155933052

IUPAC(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=CCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyPKIVQYVQRZDGHP-NSHDSACASA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

About (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one

(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one (PubChem CID 155933052) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one.

Molecular Properties

Compound Name(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
PubChem CID155933052
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=CCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyPKIVQYVQRZDGHP-NSHDSACASA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 10636838
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
CID 102401926
(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 134895328
5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(S,Z)-3-((tert-butyl)dimethylsiloxy)-6-methylnona-5,8-dien-2-one
CID 45258940
(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 54381278
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one
CID 58460704

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one?
The IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one (CID 155933052) is (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one.
What is the SMILES notation for (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one?
The canonical SMILES for (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one is CC(C)(C)[Si](C)(C)O[C@H]1CC=CCC1=O.
What is the InChIKey of (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one?
The InChIKey is PKIVQYVQRZDGHP-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one?
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-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 (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one is sourced from PubChem (CID 155933052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).