5-ethenyl-4-methyl-1,3-dioxan-2-one

C7H10O3 — CID 69479130

IUPAC5-ethenyl-4-methyl-1,3-dioxan-2-one
SMILESC=CC1COC(=O)OC1C
InChIInChI=1S/C7H10O3/c1-3-6-4-9-7(8)10-5(6)2/h3,5-6H,1,4H2,2H3
InChIKeyOOJNAQVGDGYTQL-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.34
Rot. Bonds1

About 5-ethenyl-4-methyl-1,3-dioxan-2-one

5-ethenyl-4-methyl-1,3-dioxan-2-one (PubChem CID 69479130) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-ethenyl-4-methyl-1,3-dioxan-2-one
PubChem CID69479130
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethenyl-4-methyl-1,3-dioxan-2-one
SMILESC=CC1COC(=O)OC1C
InChIInChI=1S/C7H10O3/c1-3-6-4-9-7(8)10-5(6)2/h3,5-6H,1,4H2,2H3
InChIKeyOOJNAQVGDGYTQL-UHFFFAOYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-1,3-dioxan-2-one?
The IUPAC name of 5-ethenyl-4-methyl-1,3-dioxan-2-one (CID 69479130) is 5-ethenyl-4-methyl-1,3-dioxan-2-one.
What is the SMILES notation for 5-ethenyl-4-methyl-1,3-dioxan-2-one?
The canonical SMILES for 5-ethenyl-4-methyl-1,3-dioxan-2-one is C=CC1COC(=O)OC1C.
What is the InChIKey of 5-ethenyl-4-methyl-1,3-dioxan-2-one?
The InChIKey is OOJNAQVGDGYTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6-4-9-7(8)10-5(6)2/h3,5-6H,1,4H2,2H3.
What are the key properties of 5-ethenyl-4-methyl-1,3-dioxan-2-one?
5-ethenyl-4-methyl-1,3-dioxan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-1,3-dioxan-2-one is sourced from PubChem (CID 69479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).