(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid

C11H20O5 — CID 11424763

IUPAC(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid
SMILESCOC(=O)C[C@](O)(CCCC(C)C)C(=O)O
InChIInChI=1S/C11H20O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h8,15H,4-7H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyWEMJFADFIVIYMI-LLVKDONJSA-N
MW232.28 g/mol
LogP1.19
Rot. Bonds7

About (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid

(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid (PubChem CID 11424763) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid
PubChem CID11424763
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid
SMILESCOC(=O)C[C@](O)(CCCC(C)C)C(=O)O
InChIInChI=1S/C11H20O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h8,15H,4-7H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyWEMJFADFIVIYMI-LLVKDONJSA-N
XLogP1.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid (CID 11424763) is (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid is COC(=O)C[C@](O)(CCCC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid?
The InChIKey is WEMJFADFIVIYMI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h8,15H,4-7H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid?
(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoic acid is sourced from PubChem (CID 11424763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).