3-(2-methoxypropyl)-4-methyloxolane-2,5-dione

C9H14O4 — CID 21351291

IUPAC3-(2-methoxypropyl)-4-methyloxolane-2,5-dione
SMILESCOC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C9H14O4/c1-5(12-3)4-7-6(2)8(10)13-9(7)11/h5-7H,4H2,1-3H3
InChIKeyUVIMEASHNDDBHK-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.75
Rot. Bonds3

About 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione

3-(2-methoxypropyl)-4-methyloxolane-2,5-dione (PubChem CID 21351291) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxypropyl)-4-methyloxolane-2,5-dione
PubChem CID21351291
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name3-(2-methoxypropyl)-4-methyloxolane-2,5-dione
SMILESCOC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C9H14O4/c1-5(12-3)4-7-6(2)8(10)13-9(7)11/h5-7H,4H2,1-3H3
InChIKeyUVIMEASHNDDBHK-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione 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 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione?
The IUPAC name of 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione (CID 21351291) is 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione is COC(C)CC1C(=O)OC(=O)C1C.
What is the InChIKey of 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione?
The InChIKey is UVIMEASHNDDBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-5(12-3)4-7-6(2)8(10)13-9(7)11/h5-7H,4H2,1-3H3.
What are the key properties of 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione?
3-(2-methoxypropyl)-4-methyloxolane-2,5-dione has a molecular weight of 186.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropyl)-4-methyloxolane-2,5-dione is sourced from PubChem (CID 21351291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).