2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid

C9H16O6 — CID 20744921

IUPAC2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid
SMILESCOC(=O)CC(O)(CC(C)(C)O)C(=O)O
InChIInChI=1S/C9H16O6/c1-8(2,13)5-9(14,7(11)12)4-6(10)15-3/h13-14H,4-5H2,1-3H3,(H,11,12)
InChIKeyQOTIEOAHXZXTAA-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.47
Rot. Bonds5

About 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid

2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid (PubChem CID 20744921) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid
PubChem CID20744921
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid
SMILESCOC(=O)CC(O)(CC(C)(C)O)C(=O)O
InChIInChI=1S/C9H16O6/c1-8(2,13)5-9(14,7(11)12)4-6(10)15-3/h13-14H,4-5H2,1-3H3,(H,11,12)
InChIKeyQOTIEOAHXZXTAA-UHFFFAOYSA-N
XLogP-0.47
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid?
The IUPAC name of 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid (CID 20744921) is 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid?
The canonical SMILES for 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid is COC(=O)CC(O)(CC(C)(C)O)C(=O)O.
What is the InChIKey of 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid?
The InChIKey is QOTIEOAHXZXTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-8(2,13)5-9(14,7(11)12)4-6(10)15-3/h13-14H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid?
2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid has a molecular weight of 220.22 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid is sourced from PubChem (CID 20744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).