5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

C8H10O4 — CID 89212203

IUPAC5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CC1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C8H10O4/c1-4-5-6(9)11-8(2,3)12-7(5)10/h4,9H,1H2,2-3H3
InChIKeyOEQFAJVCLRZKCK-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.25
Rot. Bonds1

About 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 89212203) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID89212203
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CC1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C8H10O4/c1-4-5-6(9)11-8(2,3)12-7(5)10/h4,9H,1H2,2-3H3
InChIKeyOEQFAJVCLRZKCK-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (CID 89212203) is 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is C=CC1=C(O)OC(C)(C)OC1=O.
What is the InChIKey of 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is OEQFAJVCLRZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-5-6(9)11-8(2,3)12-7(5)10/h4,9H,1H2,2-3H3.
What are the key properties of 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 170.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 89212203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).