1-(Ethenyloxy)-3,7-dimethylocta-2,6-diene
Basic information
- CAS
17957-93-6- Standard SMILES
C=COCC=C(C)CCC=C(C)C- InChIKey
YBKJFYRRNMFOPP-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 1-(Ethenyloxy)-3,7-dimethylocta-2,6-diene
- IUPAC
- 1-ethenoxy-3,7-dimethylocta-2,6-diene
Names & synonyms
17957-93-6SCHEMBL4610328DTXSID103385231-(Ethenyloxy)-3,7-dimethylocta-2,6-diene
Database identifiers
- CAS
17957-93-6- PubChem CID
- 549607
- DTXSID
DTXSID10338523
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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