Basic information
- CAS
727429-04-1- Standard SMILES
CCO[C@@]12CC[C@@H]1CO[C@]2(C)C(=O)OC- InChIKey
NCYKNDPEDUBGDN-IEBDPFPHSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
Names & identifiers
- Preferred name
- methyl (1S,2S,5R)-1-ethoxy-2-methyl-3-oxabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- methyl (1S,2S,5R)-1-ethoxy-2-methyl-3-oxabicyclo[3.2.0]heptane-2-carboxylate
- English name
- 3-Oxabicyclo[3.2.0]heptane-2-carboxylicacid,1-ethoxy-2-methyl-,methylester,(1S,2S,5R)-(9CI)
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
3-Oxabicyclo[3.2.0]heptane-2-carboxylic acid, 1-ethoxy-2-methyl-, methyl ester, (1S,2S,5R)-3-Oxabicyclo[3.2.0]heptane-2-carboxylicacid,1-ethoxy-2-methyl-,methylester,(1S,2S,5R)-(9CI)
Database identifiers
- CAS
727429-04-1- Nikkaji
- J2.066.136D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 254.8 · 254.8±25.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…