6-methoxy-5-oxohexanoic acid

C7H12O4 — CID 46897878

IUPAC6-methoxy-5-oxohexanoic acid
SMILESCOCC(=O)CCCC(=O)O
InChIInChI=1S/C7H12O4/c1-11-5-6(8)3-2-4-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyOCXDOZLXZIHWDG-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.46
Rot. Bonds6

About 6-methoxy-5-oxohexanoic acid

6-methoxy-5-oxohexanoic acid (PubChem CID 46897878) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-methoxy-5-oxohexanoic acid.

Molecular Properties

Compound Name6-methoxy-5-oxohexanoic acid
PubChem CID46897878
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name6-methoxy-5-oxohexanoic acid
SMILESCOCC(=O)CCCC(=O)O
InChIInChI=1S/C7H12O4/c1-11-5-6(8)3-2-4-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyOCXDOZLXZIHWDG-UHFFFAOYSA-N
XLogP0.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-oxopentanoic acid
CID 66337896
1-methoxydecan-2-one
CID 10352423
5,8,11,14-tetraoxooctadecanedioic acid
CID 57306200
1-methoxyheptane-2,5-dione
CID 12648673
chloromethane;pentanedioic acid
CID 159659659
erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
CID 87067075
CID 87067075
6-methoxy-5-oxo-N-(3-oxobutyl)hexanamide
CID 59567342
1-methoxy-5-(trifluoromethoxy)pentan-2-one
CID 79416800
1-methoxy-5-(propan-2-ylamino)pentan-2-one
CID 116558145

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-oxohexanoic acid?
The IUPAC name of 6-methoxy-5-oxohexanoic acid (CID 46897878) is 6-methoxy-5-oxohexanoic acid.
What is the SMILES notation for 6-methoxy-5-oxohexanoic acid?
The canonical SMILES for 6-methoxy-5-oxohexanoic acid is COCC(=O)CCCC(=O)O.
What is the InChIKey of 6-methoxy-5-oxohexanoic acid?
The InChIKey is OCXDOZLXZIHWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-11-5-6(8)3-2-4-7(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 6-methoxy-5-oxohexanoic acid?
6-methoxy-5-oxohexanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-oxohexanoic acid is sourced from PubChem (CID 46897878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).