2-ethenyl-4-methoxy-2,3-dihydropyran-6-one

C8H10O3 — CID 25138610

IUPAC2-ethenyl-4-methoxy-2,3-dihydropyran-6-one
SMILESC=CC1CC(OC)=CC(=O)O1
InChIInChI=1S/C8H10O3/c1-3-6-4-7(10-2)5-8(9)11-6/h3,5-6H,1,4H2,2H3
InChIKeyYRZARVXMKLFTON-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds2

About 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one

2-ethenyl-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 25138610) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-ethenyl-4-methoxy-2,3-dihydropyran-6-one
PubChem CID25138610
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-ethenyl-4-methoxy-2,3-dihydropyran-6-one
SMILESC=CC1CC(OC)=CC(=O)O1
InChIInChI=1S/C8H10O3/c1-3-6-4-7(10-2)5-8(9)11-6/h3,5-6H,1,4H2,2H3
InChIKeyYRZARVXMKLFTON-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Parasorbic acid
CID 441575
5,6-Dihydro-4-methoxy-6-methyl-2H-pyran-2-one
CID 229844
6-methyl-5,6-dihydro-2H-pyran-2-one
CID 24869
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
5,6-Dihydro-4-methoxy-2H-pyran-2-one
CID 15086343
Kava
CID 5281052
(E)-3-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)prop-2-enoic acid
CID 44566950
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
CID 10678930
6-ethyl-5,6-dihydro-2H-pyran-2-one
CID 12213801
4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 54680536
2-(Prop-2-enoxymethyl)-2,3-dihydropyran-6-one
CID 12213804
2-But-3-enyl-2,3-dihydropyran-6-one
CID 76321909

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one (CID 25138610) is 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one is C=CC1CC(OC)=CC(=O)O1.
What is the InChIKey of 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is YRZARVXMKLFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-6-4-7(10-2)5-8(9)11-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one?
2-ethenyl-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 154.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 25138610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).