[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate

C14H24O5Si — CID 11033926

IUPAC[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O5Si/c1-10(15)19-13-11(16)7-8-17-12(13)9-18-20(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12-,13+/m1/s1
InChIKeyGHQYUTSWCKLCDH-OLZOCXBDSA-N
MW300.43 g/mol
LogP2.42
Rot. Bonds4

About [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate

[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate (PubChem CID 11033926) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
PubChem CID11033926
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O5Si/c1-10(15)19-13-11(16)7-8-17-12(13)9-18-20(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12-,13+/m1/s1
InChIKeyGHQYUTSWCKLCDH-OLZOCXBDSA-N
XLogP2.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-2,3-dihydro-4H-pyran-4-one, AldrichCPR
CID 6612648
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 24766658
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 9972032
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 11471643
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
[(2R,3S)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 14308130
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 134922321
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
CID 335649
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173794843
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 5036106

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate (CID 11033926) is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate is CC(=O)O[C@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate?
The InChIKey is GHQYUTSWCKLCDH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-10(15)19-13-11(16)7-8-17-12(13)9-18-20(5,6)14(2,3)4/h7-8,12-13H,9H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate?
[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate has a molecular weight of 300.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 11033926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).