5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one

C10H16O4 — CID 14434458

IUPAC5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one
SMILESCCOC1=CC(C)(C)C(OC)OC1=O
InChIInChI=1S/C10H16O4/c1-5-13-7-6-10(2,3)9(12-4)14-8(7)11/h6,9H,5H2,1-4H3
InChIKeyTYVFMXAHCAEEPF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.46
Rot. Bonds3

About 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one

5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one (PubChem CID 14434458) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one.

Molecular Properties

Compound Name5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one
PubChem CID14434458
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one
SMILESCCOC1=CC(C)(C)C(OC)OC1=O
InChIInChI=1S/C10H16O4/c1-5-13-7-6-10(2,3)9(12-4)14-8(7)11/h6,9H,5H2,1-4H3
InChIKeyTYVFMXAHCAEEPF-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one?
The IUPAC name of 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one (CID 14434458) is 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one.
What is the SMILES notation for 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one?
The canonical SMILES for 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one is CCOC1=CC(C)(C)C(OC)OC1=O.
What is the InChIKey of 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one?
The InChIKey is TYVFMXAHCAEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-7-6-10(2,3)9(12-4)14-8(7)11/h6,9H,5H2,1-4H3.
What are the key properties of 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one?
5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one has a molecular weight of 200.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methoxy-3,3-dimethyl-2H-pyran-6-one is sourced from PubChem (CID 14434458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).