methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate

C15H24O6Si — CID 134841406

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C(C)C(=O)OC1=O
InChIInChI=1S/C15H24O6Si/c1-9-12(14(18)20-13(9)17)10(8-11(16)19-5)21-22(6,7)15(2,3)4/h10H,8H2,1-7H3/t10-/m1/s1
InChIKeyLVYQWEAZJDKNNY-SNVBAGLBSA-N
MW328.44 g/mol
LogP2.34
Rot. Bonds5

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate (PubChem CID 134841406) has the molecular formula C15H24O6Si and a molecular weight of 328.44 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
PubChem CID134841406
Molecular FormulaC15H24O6Si
Molecular Weight328.44 g/mol
Exact Mass328.13
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C(C)C(=O)OC1=O
InChIInChI=1S/C15H24O6Si/c1-9-12(14(18)20-13(9)17)10(8-11(16)19-5)21-22(6,7)15(2,3)4/h10H,8H2,1-7H3/t10-/m1/s1
InChIKeyLVYQWEAZJDKNNY-SNVBAGLBSA-N
XLogP2.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 5,5-dimethyl-4,6,12-trioxa-5-silatricyclo[7.2.1.02,8]dodeca-2(8),10-diene-10,11-dicarboxylate
CID 13528984
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 11012477
3,6-Epoxycyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid, tetraethyl ester
CID 587480
4-O-tert-butyl 1-O-ethyl (Z)-3-[(1R)-1-[diethyl(propan-2-yl)silyl]oxy-3-hydroxypropyl]-2-methylbut-2-enedioate
CID 11112508
2-O-tert-butyl 1-O-ethyl 4-O-[(2R,3R)-3-methyl-4-oxobutan-2-yl] (Z,3R)-3-[diethyl(propan-2-yl)silyl]oxy-1-methylbut-1-ene-1,2,4-tricarboxylate
CID 11124119
(Z,3R)-3-[diethyl(propan-2-yl)silyl]oxy-6-ethoxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohex-4-enoic acid
CID 11144480
1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate
CID 11198743
3-[Tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 85366303
(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid
CID 101482823
diethyl (Z)-2-[(1R)-1,3-bis(triethylsilyloxy)propyl]-3-methylbut-2-enedioate
CID 101683913
diethyl (Z)-2-[(1R)-3-hydroxy-1-triethylsilyloxypropyl]-3-methylbut-2-enedioate
CID 101683914
methyl (3R)-3-[dimethyl(propan-2-yl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 101683917

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate (CID 134841406) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate is COC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C(C)C(=O)OC1=O.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The InChIKey is LVYQWEAZJDKNNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24O6Si/c1-9-12(14(18)20-13(9)17)10(8-11(16)19-5)21-22(6,7)15(2,3)4/h10H,8H2,1-7H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate has a molecular weight of 328.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate is sourced from PubChem (CID 134841406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).