(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione

C13H22O4Si — CID 164667839

IUPAC(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=CC1=O
InChIInChI=1S/C13H22O4Si/c1-9(17-18(5,6)13(2,3)4)12-10(14)7-8-11(15)16-12/h7-9,12H,1-6H3/t9-,12-/m0/s1
InChIKeyDESOPWQATIUPHR-CABZTGNLSA-N
MW270.40 g/mol
LogP2.45
Rot. Bonds3

About (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione

(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione (PubChem CID 164667839) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione.

Molecular Properties

Compound Name(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
PubChem CID164667839
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=CC1=O
InChIInChI=1S/C13H22O4Si/c1-9(17-18(5,6)13(2,3)4)12-10(14)7-8-11(15)16-12/h7-9,12H,1-6H3/t9-,12-/m0/s1
InChIKeyDESOPWQATIUPHR-CABZTGNLSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 11439780
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
[Tert-butyl(dimethyl)silyl] 3-(3-oxoprop-1-enyl)oxirane-2-carboperoxoate
CID 124024334
[(2R,3S,6S)-3-acetyloxy-6-(3,6-dioxo-4-trimethylsilylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134923963
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 135020560
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
(4-Oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
CID 139257712
[5-(2-Methylpropanoyloxy)-4-oxocyclopent-2-en-1-yl] 2-methylpropanoate
CID 9881502
(5-Butanoyloxy-4-oxocyclopent-2-en-1-yl) butanoate
CID 17924334
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one
CID 58078446
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 72751406

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione?
The IUPAC name of (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione (CID 164667839) is (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione.
What is the SMILES notation for (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione?
The canonical SMILES for (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=CC1=O.
What is the InChIKey of (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione?
The InChIKey is DESOPWQATIUPHR-CABZTGNLSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-9(17-18(5,6)13(2,3)4)12-10(14)7-8-11(15)16-12/h7-9,12H,1-6H3/t9-,12-/m0/s1.
What are the key properties of (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione?
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione has a molecular weight of 270.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione is sourced from PubChem (CID 164667839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).