4-(ethoxymethyl)-1,3-dioxolan-2-one

C6H10O4 — CID 23135856

IUPAC4-(ethoxymethyl)-1,3-dioxolan-2-one
SMILESCCOCC1COC(=O)O1
InChIInChI=1S/C6H10O4/c1-2-8-3-5-4-9-6(7)10-5/h5H,2-4H2,1H3
InChIKeyVIISQQLGDWHGOM-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.56
Rot. Bonds3

About 4-(ethoxymethyl)-1,3-dioxolan-2-one

4-(ethoxymethyl)-1,3-dioxolan-2-one (PubChem CID 23135856) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,3-dioxolan-2-one
PubChem CID23135856
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name4-(ethoxymethyl)-1,3-dioxolan-2-one
SMILESCCOCC1COC(=O)O1
InChIInChI=1S/C6H10O4/c1-2-8-3-5-4-9-6(7)10-5/h5H,2-4H2,1H3
InChIKeyVIISQQLGDWHGOM-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(ethoxymethyl)-1,3-dioxolan-2-one (CID 23135856) is 4-(ethoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(ethoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(ethoxymethyl)-1,3-dioxolan-2-one is CCOCC1COC(=O)O1.
What is the InChIKey of 4-(ethoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is VIISQQLGDWHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-8-3-5-4-9-6(7)10-5/h5H,2-4H2,1H3.
What are the key properties of 4-(ethoxymethyl)-1,3-dioxolan-2-one?
4-(ethoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 23135856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).