(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

C12H20O4Si — CID 11288341

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1
InChIKeyXJJFRZRMHGAPMR-UWVGGRQHSA-N
MW256.37 g/mol
LogP2.06
Rot. Bonds3

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (PubChem CID 11288341) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
PubChem CID11288341
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1
InChIKeyXJJFRZRMHGAPMR-UWVGGRQHSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohex-2-enoate
CID 46189512
ethyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-oxoocta-2,4-dienoate
CID 101375474
[(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
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 142724535
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 173852774
methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965
[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 10923623
ethyl (E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxohex-2-enoate
CID 11026122
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 11119161
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione
CID 11139742

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (CID 11288341) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The InChIKey is XJJFRZRMHGAPMR-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde has a molecular weight of 256.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 11288341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).