6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid

C10H18O5 — CID 174465837

IUPAC6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
SMILESCOCCC(CCOC)C(=O)CC(=O)O
InChIInChI=1S/C10H18O5/c1-14-5-3-8(4-6-15-2)9(11)7-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVASUMIXCRUJREM-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds9

About 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid

6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid (PubChem CID 174465837) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid.

Molecular Properties

Compound Name6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
PubChem CID174465837
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
SMILESCOCCC(CCOC)C(=O)CC(=O)O
InChIInChI=1S/C10H18O5/c1-14-5-3-8(4-6-15-2)9(11)7-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVASUMIXCRUJREM-UHFFFAOYSA-N
XLogP0.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
6-methoxy-3-oxohexanoic acid
CID 57018252

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid?
The IUPAC name of 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid (CID 174465837) is 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid.
What is the SMILES notation for 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid?
The canonical SMILES for 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid is COCCC(CCOC)C(=O)CC(=O)O.
What is the InChIKey of 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid?
The InChIKey is VASUMIXCRUJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-14-5-3-8(4-6-15-2)9(11)7-10(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid?
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid is sourced from PubChem (CID 174465837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).