5-prop-2-enoxy-1,3-dioxan-2-one

C7H10O4 — CID 71407872

IUPAC5-prop-2-enoxy-1,3-dioxan-2-one
SMILESC=CCOC1COC(=O)OC1
InChIInChI=1S/C7H10O4/c1-2-3-9-6-4-10-7(8)11-5-6/h2,6H,1,3-5H2
InChIKeyHBHJVSYYVXPYSR-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.72
Rot. Bonds3

About 5-prop-2-enoxy-1,3-dioxan-2-one

5-prop-2-enoxy-1,3-dioxan-2-one (PubChem CID 71407872) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 5-prop-2-enoxy-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-prop-2-enoxy-1,3-dioxan-2-one
PubChem CID71407872
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name5-prop-2-enoxy-1,3-dioxan-2-one
SMILESC=CCOC1COC(=O)OC1
InChIInChI=1S/C7H10O4/c1-2-3-9-6-4-10-7(8)11-5-6/h2,6H,1,3-5H2
InChIKeyHBHJVSYYVXPYSR-UHFFFAOYSA-N
XLogP0.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enoxy-1,3-dioxan-2-one?
The IUPAC name of 5-prop-2-enoxy-1,3-dioxan-2-one (CID 71407872) is 5-prop-2-enoxy-1,3-dioxan-2-one.
What is the SMILES notation for 5-prop-2-enoxy-1,3-dioxan-2-one?
The canonical SMILES for 5-prop-2-enoxy-1,3-dioxan-2-one is C=CCOC1COC(=O)OC1.
What is the InChIKey of 5-prop-2-enoxy-1,3-dioxan-2-one?
The InChIKey is HBHJVSYYVXPYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-3-9-6-4-10-7(8)11-5-6/h2,6H,1,3-5H2.
What are the key properties of 5-prop-2-enoxy-1,3-dioxan-2-one?
5-prop-2-enoxy-1,3-dioxan-2-one has a molecular weight of 158.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-1,3-dioxan-2-one is sourced from PubChem (CID 71407872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).