Basic information
- Standard SMILES
C#CC(OC(=O)C1C(C)(C)C12CCCC2)c1cccc(Oc2ccccc2)c1- InChIKey
SGTBJRZGSKFADF-UHFFFAOYSA-N- Molecular formula
- C25H26O3
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.18819469
Names & identifiers
- Preferred name
- 2,2-Dimethylspiro[2,4]heptane-1-carboxylic acid, alpha-ethynyl-m-phenoxybenzyl ester
- IUPAC
- 1-(3-phenoxyphenyl)prop-2-ynyl 2,2-dimethylspiro[2.4]heptane-1-carboxylate
Names & synonyms
SGTBJRZGSKFADF-UHFFFAOYSA-N2,2-Dimethylspiro[2,4]heptane-1-carboxylic acid, alpha-ethynyl-m-phenoxybenzyl ester
Database identifiers
- PubChem CID
- 86733552
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
Related reactions
3 records
Compound notes
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