6-(1-methoxyethoxy)-6-oxohexanoic acid

C9H16O5 — CID 87368895

IUPAC6-(1-methoxyethoxy)-6-oxohexanoic acid
SMILESCOC(C)OC(=O)CCCCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(13-2)14-9(12)6-4-3-5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyYLRKMNXULAVUIH-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.17
Rot. Bonds7

About 6-(1-methoxyethoxy)-6-oxohexanoic acid

6-(1-methoxyethoxy)-6-oxohexanoic acid (PubChem CID 87368895) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-(1-methoxyethoxy)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(1-methoxyethoxy)-6-oxohexanoic acid
PubChem CID87368895
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name6-(1-methoxyethoxy)-6-oxohexanoic acid
SMILESCOC(C)OC(=O)CCCCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(13-2)14-9(12)6-4-3-5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyYLRKMNXULAVUIH-UHFFFAOYSA-N
XLogP1.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethyl hexadecanoate
CID 20514386
10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064
methane;1-methoxyethyl 5-oxohexanoate
CID 159759084
bis(1-methoxycarbonyloxyethyl) nonanedioate
CID 91318095
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
9-[1-(1-butoxyethoxy)ethoxy]-9-oxononanoic acid
CID 121292930
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
ethane-1,1-diol;hexanedioic acid
CID 160553867
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
bis(1-ethoxyethyl) decanedioate
CID 87368848
29-tetradecanoyloxytriacontanoic acid
CID 175500043
16-(1-methoxyethoxymethoxy)hexadecanoic acid
CID 19032988

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethoxy)-6-oxohexanoic acid?
The IUPAC name of 6-(1-methoxyethoxy)-6-oxohexanoic acid (CID 87368895) is 6-(1-methoxyethoxy)-6-oxohexanoic acid.
What is the SMILES notation for 6-(1-methoxyethoxy)-6-oxohexanoic acid?
The canonical SMILES for 6-(1-methoxyethoxy)-6-oxohexanoic acid is COC(C)OC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(1-methoxyethoxy)-6-oxohexanoic acid?
The InChIKey is YLRKMNXULAVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-7(13-2)14-9(12)6-4-3-5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 6-(1-methoxyethoxy)-6-oxohexanoic acid?
6-(1-methoxyethoxy)-6-oxohexanoic acid has a molecular weight of 204.22 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethoxy)-6-oxohexanoic acid is sourced from PubChem (CID 87368895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).