Basic information
- Standard SMILES
C#CCOC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OCC- InChIKey
HBWSBEQVXMAPPR-UHFFFAOYSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
Names & identifiers
- Preferred name
- 3,7,11-Trimethyl-11-(2-propynyloxy)-2,4-dodecadienoic acid ethyl ester
- IUPAC
- ethyl 3,7,11-trimethyl-11-prop-2-ynoxydodeca-2,4-dienoate
Names & synonyms
SCHEMBL11811048HBWSBEQVXMAPPR-UHFFFAOYSA-N3,7,11-trimethyl-11-(2-propynyloxy)-2,4-dodecadienoic acid ethyl ester
Database identifiers
- PubChem CID
- 53869178
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
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