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

Analyze 4,5-dimethyl-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propylene Carbonate
CID 7924
2,2,4-Trimethyl-1,3-dioxolane
CID 62384
4-Methyl-1,3-dioxolane
CID 66119
Butylene carbonate
CID 107282
2-Ethyl-2-methyl-1,3-dioxolane
CID 61067
4-Ethyl-1,3-dioxolane
CID 121755
4,5-Dimethyl-1,3-dioxolane
CID 524829
2,2-Dimethyl-1,3-dioxolane
CID 76209
(4S)-4-methyl-1,3-dioxolan-2-one
CID 2734444
(4R)-4-methyl-1,3-dioxolan-2-one
CID 641813
Diisopropyl carbonate
CID 536818
1,3-Dioxolan-2-one, 4,4-dimethyl-
CID 78174

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).