ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate

C15H22O5 — CID 154721119

IUPACethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate
SMILESCCOC(=O)[C@@](C)(CC(C)=O)C1(C)OC(=O)C(C)=C1C
InChIInChI=1S/C15H22O5/c1-7-19-13(18)14(5,8-9(2)16)15(6)11(4)10(3)12(17)20-15/h7-8H2,1-6H3/t14-,15?/m1/s1
InChIKeyMHMBXBWSXGJGHL-GICMACPYSA-N
MW282.34 g/mol
LogP2.19
Rot. Bonds5

About ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate

ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate (PubChem CID 154721119) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate
PubChem CID154721119
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate
SMILESCCOC(=O)[C@@](C)(CC(C)=O)C1(C)OC(=O)C(C)=C1C
InChIInChI=1S/C15H22O5/c1-7-19-13(18)14(5,8-9(2)16)15(6)11(4)10(3)12(17)20-15/h7-8H2,1-6H3/t14-,15?/m1/s1
InChIKeyMHMBXBWSXGJGHL-GICMACPYSA-N
XLogP2.19
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (S)-2-methyl-4-oxo-2-((S)-2,3,4-trimethyl-5-oxo-2,5-dihydrofuran-2-yl)pentanoate
CID 139598335
ethyl (3R,4S)-4-methyl-2-oxo-4-((S)-2,3,4-trimethyl-5-oxo-2,5-dihydrofuran-2-yl)tetrahydrofuran-3-carboxylate
CID 139598351
methyl (S)-3-oxo-1-((S)-2,3,4-trimethyl-5-oxo-2,5-dihydrofuran-2-yl)cyclohexane-1-carboxylate
CID 139598352
Methyl 2-[3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]acetate
CID 353898
Methyl 2-[3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]-2-methylpropanoate
CID 353900
Methyl 2-(2,4-ditert-butyl-5-oxofuran-2-yl)acetate
CID 12383544
O1-ethyl O3-methyl 2,3-dimethyl-4-oxocyclopentene-1,3-dicarboxylate
CID 24974752
methyl 2-[(1S)-3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]acetate
CID 92150469
methyl 2-[(1R)-3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]acetate
CID 92277987

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate?
The IUPAC name of ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate (CID 154721119) is ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate.
What is the SMILES notation for ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate?
The canonical SMILES for ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate is CCOC(=O)[C@@](C)(CC(C)=O)C1(C)OC(=O)C(C)=C1C.
What is the InChIKey of ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate?
The InChIKey is MHMBXBWSXGJGHL-GICMACPYSA-N. The full InChI is InChI=1S/C15H22O5/c1-7-19-13(18)14(5,8-9(2)16)15(6)11(4)10(3)12(17)20-15/h7-8H2,1-6H3/t14-,15?/m1/s1.
What are the key properties of ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate?
ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate has a molecular weight of 282.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methyl-4-oxo-2-(2,3,4-trimethyl-5-oxofuran-2-yl)pentanoate is sourced from PubChem (CID 154721119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).