methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

C8H14O4 — CID 560031

IUPACmethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3
InChIKeyXUKFOSIFGGLZJW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds3

About methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 560031) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID560031
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3
InChIKeyXUKFOSIFGGLZJW-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate 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 methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 560031) is methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is COC(=O)CCC1(C)OCCO1.
What is the InChIKey of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is XUKFOSIFGGLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3.
What are the key properties of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 174.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).