2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one

C13H24O3Si — CID 101184079

IUPAC2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C1CC(=O)C=CO1
InChIInChI=1S/C13H24O3Si/c1-10(12-9-11(14)7-8-15-12)16-17(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12?/m0/s1
InChIKeyBLLQVTAJVPFFKI-NUHJPDEHSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one

2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one (PubChem CID 101184079) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
PubChem CID101184079
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C1CC(=O)C=CO1
InChIInChI=1S/C13H24O3Si/c1-10(12-9-11(14)7-8-15-12)16-17(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12?/m0/s1
InChIKeyBLLQVTAJVPFFKI-NUHJPDEHSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
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

(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173575576
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 5036106
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 9859630
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 10466925
(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one
CID 10827967
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 11777196
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070165
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 44598006
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 73097138
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 101994531

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one (CID 101184079) is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one is C[C@H](O[Si](C)(C)C(C)(C)C)C1CC(=O)C=CO1.
What is the InChIKey of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The InChIKey is BLLQVTAJVPFFKI-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10(12-9-11(14)7-8-15-12)16-17(5,6)13(2,3)4/h7-8,10,12H,9H2,1-6H3/t10-,12?/m0/s1.
What are the key properties of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 101184079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).