3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one

C10H14O5 — CID 10856838

IUPAC3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one
SMILESCOCCOCOc1c(C)occc1=O
InChIInChI=1S/C10H14O5/c1-8-10(9(11)3-4-14-8)15-7-13-6-5-12-2/h3-4H,5-7H2,1-2H3
InChIKeyTZJKZRQLQSFUPM-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.95
Rot. Bonds6

About 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one

3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one (PubChem CID 10856838) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one
PubChem CID10856838
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one
SMILESCOCCOCOc1c(C)occc1=O
InChIInChI=1S/C10H14O5/c1-8-10(9(11)3-4-14-8)15-7-13-6-5-12-2/h3-4H,5-7H2,1-2H3
InChIKeyTZJKZRQLQSFUPM-UHFFFAOYSA-N
XLogP0.95
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one?
The IUPAC name of 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one (CID 10856838) is 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one is COCCOCOc1c(C)occc1=O.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one?
The InChIKey is TZJKZRQLQSFUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-8-10(9(11)3-4-14-8)15-7-13-6-5-12-2/h3-4H,5-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one?
3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one has a molecular weight of 214.22 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one is sourced from PubChem (CID 10856838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).