4-ethyl-3-propyl-2H-pyran-5-one

C10H16O2 — CID 11745027

IUPAC4-ethyl-3-propyl-2H-pyran-5-one
SMILESCCCC1=C(CC)C(=O)COC1
InChIInChI=1S/C10H16O2/c1-3-5-8-6-12-7-10(11)9(8)4-2/h3-7H2,1-2H3
InChIKeyRHDGGDXYEUPMNQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds3

About 4-ethyl-3-propyl-2H-pyran-5-one

4-ethyl-3-propyl-2H-pyran-5-one (PubChem CID 11745027) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-ethyl-3-propyl-2H-pyran-5-one.

Molecular Properties

Compound Name4-ethyl-3-propyl-2H-pyran-5-one
PubChem CID11745027
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-ethyl-3-propyl-2H-pyran-5-one
SMILESCCCC1=C(CC)C(=O)COC1
InChIInChI=1S/C10H16O2/c1-3-5-8-6-12-7-10(11)9(8)4-2/h3-7H2,1-2H3
InChIKeyRHDGGDXYEUPMNQ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-6-pentyl-2H-pyran-5-one
CID 69345598
3,4-dimethyl-6-propyl-2H-pyran-5-one
CID 69345890
6-butyl-3,4-dimethyl-2H-pyran-5-one
CID 69346729
3,6-di(propan-2-yl)-2H-pyran-5-one
CID 69879814
(4E,5E)-4,5-di(ethylidene)oxan-3-one;ethane
CID 142276356
3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
CID 142279321
ethane;(4E,5E)-5-ethylidene-4-propylideneoxan-3-one
CID 143085245
3,4,6,6-tetramethyl-2H-pyran-5-one
CID 175558090
(E)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]but-2-en-1-one
CID 10943375
4-Ethoxy-2,3-dimethylcyclobut-2-en-1-one
CID 12614084
(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one
CID 14860950
2-Ethyl-5,6,6-trimethylpyran-3-one
CID 130028025

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-propyl-2H-pyran-5-one?
The IUPAC name of 4-ethyl-3-propyl-2H-pyran-5-one (CID 11745027) is 4-ethyl-3-propyl-2H-pyran-5-one.
What is the SMILES notation for 4-ethyl-3-propyl-2H-pyran-5-one?
The canonical SMILES for 4-ethyl-3-propyl-2H-pyran-5-one is CCCC1=C(CC)C(=O)COC1.
What is the InChIKey of 4-ethyl-3-propyl-2H-pyran-5-one?
The InChIKey is RHDGGDXYEUPMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-8-6-12-7-10(11)9(8)4-2/h3-7H2,1-2H3.
What are the key properties of 4-ethyl-3-propyl-2H-pyran-5-one?
4-ethyl-3-propyl-2H-pyran-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-propyl-2H-pyran-5-one is sourced from PubChem (CID 11745027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).