2-ethyl-6-hydroxy-1,3-dioxin-4-one

C6H8O4 — CID 121278242

IUPAC2-ethyl-6-hydroxy-1,3-dioxin-4-one
SMILESCCC1OC(=O)C=C(O)O1
InChIInChI=1S/C6H8O4/c1-2-6-9-4(7)3-5(8)10-6/h3,6-7H,2H2,1H3
InChIKeyFNRJMRDDOLYXHG-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.70
Rot. Bonds1

About 2-ethyl-6-hydroxy-1,3-dioxin-4-one

2-ethyl-6-hydroxy-1,3-dioxin-4-one (PubChem CID 121278242) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-ethyl-6-hydroxy-1,3-dioxin-4-one.

Molecular Properties

Compound Name2-ethyl-6-hydroxy-1,3-dioxin-4-one
PubChem CID121278242
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-ethyl-6-hydroxy-1,3-dioxin-4-one
SMILESCCC1OC(=O)C=C(O)O1
InChIInChI=1S/C6H8O4/c1-2-6-9-4(7)3-5(8)10-6/h3,6-7H,2H2,1H3
InChIKeyFNRJMRDDOLYXHG-UHFFFAOYSA-N
XLogP0.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-1,3-Dioxin-4-one, 6-hydroxy-2,2-dimethyl-
CID 368302
ethyl (E)-3-ethoxy-3-hydroxyprop-2-enoate
CID 637941
1,3-Diethoxy-3-oxoprop-1-en-1-olate
CID 5062832
(E)-1,3-diethoxy-3-oxoprop-1-en-1-olate
CID 6261095
CID 13024898
CID 13024898
6-Methoxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327225
Oxyethoxyethyl acrylate
CID 20195709
Ethyl 3,3-dimethoxyprop-2-enoate
CID 91706486
(Z)-1,3-diethoxy-3-oxoprop-1-en-1-olate
CID 13024899
1-Carboxyoxyethyl prop-2-enoate
CID 19808593
1-(1-Carboxyoxyethoxy)ethyl prop-2-enoate
CID 20134280
2-Methyl-1,3-dioxin-4-one
CID 20652082

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydroxy-1,3-dioxin-4-one?
The IUPAC name of 2-ethyl-6-hydroxy-1,3-dioxin-4-one (CID 121278242) is 2-ethyl-6-hydroxy-1,3-dioxin-4-one.
What is the SMILES notation for 2-ethyl-6-hydroxy-1,3-dioxin-4-one?
The canonical SMILES for 2-ethyl-6-hydroxy-1,3-dioxin-4-one is CCC1OC(=O)C=C(O)O1.
What is the InChIKey of 2-ethyl-6-hydroxy-1,3-dioxin-4-one?
The InChIKey is FNRJMRDDOLYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-2-6-9-4(7)3-5(8)10-6/h3,6-7H,2H2,1H3.
What are the key properties of 2-ethyl-6-hydroxy-1,3-dioxin-4-one?
2-ethyl-6-hydroxy-1,3-dioxin-4-one has a molecular weight of 144.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydroxy-1,3-dioxin-4-one is sourced from PubChem (CID 121278242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).