(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one

C15H26O3Si — CID 50993173

IUPAC(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O3Si/c1-7-8-14-13(16)10-9-12(18-14)11-17-19(5,6)15(2,3)4/h7,9-10,12,14H,1,8,11H2,2-6H3/t12-,14-/m0/s1
InChIKeyWKDMEMHGZOPUSG-JSGCOSHPSA-N
MW282.46 g/mol
LogP3.48
Rot. Bonds5

About (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one

(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one (PubChem CID 50993173) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
PubChem CID50993173
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O3Si/c1-7-8-14-13(16)10-9-12(18-14)11-17-19(5,6)15(2,3)4/h7,9-10,12,14H,1,8,11H2,2-6H3/t12-,14-/m0/s1
InChIKeyWKDMEMHGZOPUSG-JSGCOSHPSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
CID 134936219
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
CID 164674456
1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]ethanone
CID 59065838
5-(Trimethylsilylmethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 68178325
1-(Trimethylsilylmethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 68179355
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 72751406
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 173852774
(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
CID 10852623
[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 10923623
(E)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]but-2-en-1-one
CID 10943375
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 11119161

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one?
The IUPAC name of (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one (CID 50993173) is (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one?
The canonical SMILES for (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one is C=CC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one?
The InChIKey is WKDMEMHGZOPUSG-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-7-8-14-13(16)10-9-12(18-14)11-17-19(5,6)15(2,3)4/h7,9-10,12,14H,1,8,11H2,2-6H3/t12-,14-/m0/s1.
What are the key properties of (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one?
(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one has a molecular weight of 282.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one is sourced from PubChem (CID 50993173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).