(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

C13H24O2Si — CID 11791324

IUPAC(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1C(=O)C=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12+/m1/s1
InChIKeyMWWSAHGOIBUZME-PWSUYJOCSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds2

About (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (PubChem CID 11791324) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
PubChem CID11791324
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1C(=O)C=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12+/m1/s1
InChIKeyMWWSAHGOIBUZME-PWSUYJOCSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138963805
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-1-en-3-one
CID 51002595
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
CID 91999208
(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
CID 134855536

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (CID 11791324) is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is C[C@@H]1C(=O)C=CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The InChIKey is MWWSAHGOIBUZME-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-11(14)8-7-9-12(10)15-16(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12+/m1/s1.
What are the key properties of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 11791324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).