[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate

C14H24O6 — CID 171578964

IUPAC[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
SMILESCO[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@@H](C)CC(C)=O
InChIInChI=1S/C14H24O6/c1-9(15)6-11(3)19-14(17)8-12(4)20-13(16)7-10(2)18-5/h10-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyNRDVOUYHIMFUIU-GRYCIOLGSA-N
MW288.34 g/mol
LogP1.64
Rot. Bonds9

About [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate

[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate (PubChem CID 171578964) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate.

Molecular Properties

Compound Name[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
PubChem CID171578964
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
SMILESCO[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@@H](C)CC(C)=O
InChIInChI=1S/C14H24O6/c1-9(15)6-11(3)19-14(17)8-12(4)20-13(16)7-10(2)18-5/h10-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyNRDVOUYHIMFUIU-GRYCIOLGSA-N
XLogP1.64
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate with MolForge

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Related Compounds

(4R)-4-methoxypentan-2-one
CID 10749159
1-acetyloxyethyl 3-methoxybutanoate
CID 87922228
methyl (3R)-3-[(3R)-3-(3-oxobutanoyloxy)butanoyl]oxybutanoate
CID 58092548
3-[3-[3-[3-(3-hydroxybutanoyloxy)butanoyloxy]butanoyloxy]butanoyloxy]butanoic acid
CID 162966138
(3S)-3-methoxybutanoic acid
CID 51374275
methyl 3-methyl-5-oxohexanoate
CID 13198405
3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
(2-methyl-5-oxohexan-3-yl) 3-hydroxybutanoate
CID 20591063
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
[3-[2,3-bis[3-(3-oxobutanoyloxy)butanoyloxy]propoxy]-2-[3-(3-oxobutanoyloxy)butanoyloxy]propyl] 3-(3-oxobutanoyloxy)butanoate
CID 176786561
CID 158845885
CID 158845885
CID 159592967
CID 159592967

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?
The IUPAC name of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate (CID 171578964) is [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate.
What is the SMILES notation for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?
The canonical SMILES for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate is CO[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@@H](C)CC(C)=O.
What is the InChIKey of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?
The InChIKey is NRDVOUYHIMFUIU-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(15)6-11(3)19-14(17)8-12(4)20-13(16)7-10(2)18-5/h10-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1.
What are the key properties of [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate?
[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate is sourced from PubChem (CID 171578964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).