4-ethoxy-2-propyl-2,3-dihydropyran-6-one

C10H16O3 — CID 102137116

IUPAC4-ethoxy-2-propyl-2,3-dihydropyran-6-one
SMILESCCCC1CC(OCC)=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-8-6-9(12-4-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3
InChIKeyKHMLEIRWGVYBJC-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.02
Rot. Bonds4

About 4-ethoxy-2-propyl-2,3-dihydropyran-6-one

4-ethoxy-2-propyl-2,3-dihydropyran-6-one (PubChem CID 102137116) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-ethoxy-2-propyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-ethoxy-2-propyl-2,3-dihydropyran-6-one
PubChem CID102137116
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-ethoxy-2-propyl-2,3-dihydropyran-6-one
SMILESCCCC1CC(OCC)=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-8-6-9(12-4-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3
InChIKeyKHMLEIRWGVYBJC-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-propyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-ethoxy-2-propyl-2,3-dihydropyran-6-one (CID 102137116) is 4-ethoxy-2-propyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-ethoxy-2-propyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-ethoxy-2-propyl-2,3-dihydropyran-6-one is CCCC1CC(OCC)=CC(=O)O1.
What is the InChIKey of 4-ethoxy-2-propyl-2,3-dihydropyran-6-one?
The InChIKey is KHMLEIRWGVYBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-8-6-9(12-4-2)7-10(11)13-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-ethoxy-2-propyl-2,3-dihydropyran-6-one?
4-ethoxy-2-propyl-2,3-dihydropyran-6-one has a molecular weight of 184.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-propyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 102137116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).