2-propan-2-yl-1,3-dioxolan-4-one

C6H10O3 — CID 11819105

IUPAC2-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)C1OCC(=O)O1
InChIInChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3
InChIKeyMZCOEPMHXQPZFF-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.54
Rot. Bonds1

About 2-propan-2-yl-1,3-dioxolan-4-one

2-propan-2-yl-1,3-dioxolan-4-one (PubChem CID 11819105) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dioxolan-4-one
PubChem CID11819105
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)C1OCC(=O)O1
InChIInChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3
InChIKeyMZCOEPMHXQPZFF-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-1,3-dioxolan-4-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 2-propan-2-yl-1,3-dioxolan-4-one?
The IUPAC name of 2-propan-2-yl-1,3-dioxolan-4-one (CID 11819105) is 2-propan-2-yl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-propan-2-yl-1,3-dioxolan-4-one?
The canonical SMILES for 2-propan-2-yl-1,3-dioxolan-4-one is CC(C)C1OCC(=O)O1.
What is the InChIKey of 2-propan-2-yl-1,3-dioxolan-4-one?
The InChIKey is MZCOEPMHXQPZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-dioxolan-4-one?
2-propan-2-yl-1,3-dioxolan-4-one has a molecular weight of 130.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 11819105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).