4-methyl-1,3-dioxol-2-one

C4H4O3 — CID 14966433

IUPAC4-methyl-1,3-dioxol-2-one
SMILESCc1coc(=O)o1
InChIInChI=1S/C4H4O3/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeyHXXOPVULXOEHTK-UHFFFAOYSA-N
MW100.07 g/mol
LogP0.54
Rot. Bonds

About 4-methyl-1,3-dioxol-2-one

4-methyl-1,3-dioxol-2-one (PubChem CID 14966433) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is 4-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-1,3-dioxol-2-one
PubChem CID14966433
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name4-methyl-1,3-dioxol-2-one
SMILESCc1coc(=O)o1
InChIInChI=1S/C4H4O3/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeyHXXOPVULXOEHTK-UHFFFAOYSA-N
XLogP0.54
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-1,3-dioxol-2-one (CID 14966433) is 4-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-1,3-dioxol-2-one is Cc1coc(=O)o1.
What is the InChIKey of 4-methyl-1,3-dioxol-2-one?
The InChIKey is HXXOPVULXOEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c1-3-2-6-4(5)7-3/h2H,1H3.
What are the key properties of 4-methyl-1,3-dioxol-2-one?
4-methyl-1,3-dioxol-2-one has a molecular weight of 100.07 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 14966433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).