6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one

C15H26O3Si — CID 138969406

IUPAC6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one
SMILESCc1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)oc(=O)c1
InChIInChI=1S/C15H26O3Si/c1-11-8-13(17-14(16)9-11)10-12(2)18-19(6,7)15(3,4)5/h8-9,12H,10H2,1-7H3/t12-/m0/s1
InChIKeyXIBYLHGRIULTJT-LBPRGKRZSA-N
MW282.46 g/mol
LogP3.90
Rot. Bonds4

About 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one

6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one (PubChem CID 138969406) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one.

Molecular Properties

Compound Name6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one
PubChem CID138969406
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one
SMILESCc1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)oc(=O)c1
InChIInChI=1S/C15H26O3Si/c1-11-8-13(17-14(16)9-11)10-12(2)18-19(6,7)15(3,4)5/h8-9,12H,10H2,1-7H3/t12-/m0/s1
InChIKeyXIBYLHGRIULTJT-LBPRGKRZSA-N
XLogP3.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Kava
CID 5281052
(2S)-2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
CID 57417017
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
5-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679170
ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate
CID 134856539
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
CID 134857738
6-[3-[Tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-yn-2-yl]-4-methoxypyran-2-one
CID 134969584
2-[(2S,4Z)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)-2,3-dihydropyran-2-yl]ethyl 2,2-dimethylpropanoate
CID 138969564
[(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexa-1,5-dien-1-yl]methyl acetate
CID 138982623
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
CID 162400186
Octa-2,4-dienoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester
CID 5366636
(2S,3S)-4-methoxy-2-methyl-3-triethylsilyloxy-2,3-dihydropyran-6-one
CID 44208300

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one?
The IUPAC name of 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one (CID 138969406) is 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one.
What is the SMILES notation for 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one?
The canonical SMILES for 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one is Cc1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)oc(=O)c1.
What is the InChIKey of 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one?
The InChIKey is XIBYLHGRIULTJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-11-8-13(17-14(16)9-11)10-12(2)18-19(6,7)15(3,4)5/h8-9,12H,10H2,1-7H3/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one?
6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one has a molecular weight of 282.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one is sourced from PubChem (CID 138969406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).