(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one

C5H8O3 — CID 10080377

IUPAC(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESC[C@@H]1OC(=O)O[C@H]1C
InChIInChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyLWLOKSXSAUHTJO-IMJSIDKUSA-N
MW116.12 g/mol
LogP0.93
Rot. Bonds

About (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one

(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 10080377) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID10080377
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESC[C@@H]1OC(=O)O[C@H]1C
InChIInChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyLWLOKSXSAUHTJO-IMJSIDKUSA-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 (4S,5S)-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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one (CID 10080377) is (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one is C[C@@H]1OC(=O)O[C@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is LWLOKSXSAUHTJO-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one?
(4S,5S)-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 (4S,5S)-4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 10080377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).