2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one

C14H22O4 — CID 162055645

IUPAC2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one
SMILESCCC1CC(=O)C=CO1.CCC1CC(=O)CCO1
InChIInChI=1S/C7H12O2.C7H10O2/c2*1-2-7-5-6(8)3-4-9-7/h7H,2-5H2,1H3;3-4,7H,2,5H2,1H3
InChIKeyYZDIHAGJUDVSLK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one

2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one (PubChem CID 162055645) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one.

Molecular Properties

Compound Name2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one
PubChem CID162055645
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one
SMILESCCC1CC(=O)C=CO1.CCC1CC(=O)CCO1
InChIInChI=1S/C7H12O2.C7H10O2/c2*1-2-7-5-6(8)3-4-9-7/h7H,2-5H2,1H3;3-4,7H,2,5H2,1H3
InChIKeyYZDIHAGJUDVSLK-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one?
The IUPAC name of 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one (CID 162055645) is 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one.
What is the SMILES notation for 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one?
The canonical SMILES for 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one is CCC1CC(=O)C=CO1.CCC1CC(=O)CCO1.
What is the InChIKey of 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one?
The InChIKey is YZDIHAGJUDVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C7H10O2/c2*1-2-7-5-6(8)3-4-9-7/h7H,2-5H2,1H3;3-4,7H,2,5H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one?
2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one has a molecular weight of 254.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydropyran-4-one;2-ethyloxan-4-one is sourced from PubChem (CID 162055645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).