4,5-dimethyl-1,3-dioxolan-2-one

C5H8O3 — CID 536113

IUPAC4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1C
InChIInChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3
InChIKeyLWLOKSXSAUHTJO-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.93
Rot. Bonds

About 4,5-dimethyl-1,3-dioxolan-2-one

4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 536113) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID536113
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1C
InChIInChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3
InChIKeyLWLOKSXSAUHTJO-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4,5-dimethyl-1,3-dioxolan-2-one (CID 536113) is 4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-dimethyl-1,3-dioxolan-2-one is CC1OC(=O)OC1C.
What is the InChIKey of 4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is LWLOKSXSAUHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dioxolan-2-one?
4,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 536113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).