4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate

C17H24O7Si — CID 172818782

IUPAC4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate
SMILESCOC(=O)/C=C/C(=O)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C17H24O7Si/c1-17(2,3)25(5,6)24-14-11-22-12(9-13(14)18)10-23-16(20)8-7-15(19)21-4/h7-9,11H,10H2,1-6H3/b8-7+
InChIKeyTYAHZIMITPCAKP-BQYQJAHWSA-N
MW368.46 g/mol
LogP2.80
Rot. Bonds6

About 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate

4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate (PubChem CID 172818782) has the molecular formula C17H24O7Si and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate.

Molecular Properties

Compound Name4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate
PubChem CID172818782
Molecular FormulaC17H24O7Si
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate
SMILESCOC(=O)/C=C/C(=O)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C17H24O7Si/c1-17(2,3)25(5,6)24-14-11-22-12(9-13(14)18)10-23-16(20)8-7-15(19)21-4/h7-9,11H,10H2,1-6H3/b8-7+
InChIKeyTYAHZIMITPCAKP-BQYQJAHWSA-N
XLogP2.80
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
CID 11244662
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate
CID 15224155
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one
CID 138963360
5-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 22937915
5-[Tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one
CID 23077529
5-[Tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one
CID 87650587
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
CID 140824928
3-Butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-carboxylic acid
CID 155631126
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10105804
ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate
CID 10519360
ethyl (2Z,7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-oxonona-2,7-dienoate
CID 10871614

Frequently Asked Questions

What is the IUPAC name of 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate?
The IUPAC name of 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate (CID 172818782) is 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate.
What is the SMILES notation for 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate?
The canonical SMILES for 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate is COC(=O)/C=C/C(=O)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate?
The InChIKey is TYAHZIMITPCAKP-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H24O7Si/c1-17(2,3)25(5,6)24-14-11-22-12(9-13(14)18)10-23-16(20)8-7-15(19)21-4/h7-9,11H,10H2,1-6H3/b8-7+.
What are the key properties of 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate?
4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate has a molecular weight of 368.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate is sourced from PubChem (CID 172818782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).