Basic information
- Standard SMILES
CCOC(=O)CC1CCCC2CC(CC)OC12O- InChIKey
LMTXBTZCLARNSG-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl (2-ethyl-7a-hydroxyoctahydro-1-benzofuran-7-yl)acetate
- IUPAC
- ethyl 2-(2-ethyl-7a-hydroxy-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7-yl)acetate
Names & synonyms
SCHEMBL8276472LMTXBTZCLARNSG-UHFFFAOYSA-N2-Ethyl (2-ethyl-7a-hydroxyoctahydro-1-benzofuran-7-yl)acetate
Database identifiers
- PubChem CID
- 58986239
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
1 records
Compound notes
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