Dimethyl 5-((3-methyloxetan-3-yl)methoxy)isophthalate
Basic information
- Standard SMILES
COC(=O)c1cc(OCC2(C)COC2)cc(C(=O)OC)c1- InChIKey
MPZDAFAPBPYOTB-UHFFFAOYSA-N- Molecular formula
- C15H18O6
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.11033829
Names & identifiers
- Preferred name
- Dimethyl 5-((3-methyloxetan-3-yl)methoxy)isophthalate
- IUPAC
- dimethyl 5-[(3-methyloxetan-3-yl)methoxy]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL15261924MPZDAFAPBPYOTB-UHFFFAOYSA-NDB-139376Dimethyl 5-((3-methyloxetan-3-yl)methoxy)isophthalate5-[(3-Methyl-3-oxetanyl)methoxy]-1,3-benzenedicarboxylic acid 1,3-dimethyl ester1458655-04-3
Database identifiers
- PubChem CID
- 86697232
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
2 records
Compound notes
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