methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate

C9H16O4 — CID 165353445

IUPACmethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C)OC1OC
InChIInChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3
InChIKeyKVBUMOXDZCHNRW-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate

methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate (PubChem CID 165353445) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
PubChem CID165353445
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C)OC1OC
InChIInChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3
InChIKeyKVBUMOXDZCHNRW-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate 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 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The IUPAC name of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate (CID 165353445) is methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate is COC(=O)C1CC(C)(C)OC1OC.
What is the InChIKey of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The InChIKey is KVBUMOXDZCHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3.
What are the key properties of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate is sourced from PubChem (CID 165353445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).