Basic information
- CAS
55987-49-0- Standard SMILES
C=C1C/C=C/C(C)(C)C/C=C(/C)CCC1C(C)=O- InChIKey
YRFMWVJKSSLTAZ-OIUPSWSQSA-N- Molecular formula
- C17H26O
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.19836545
Overview
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Names & identifiers
- Preferred name
- 1-(6,6,9-Trimethyl-2-methylenecycloundeca-4,8-dien-1-yl)ethan-1-one
- IUPAC
- 1-[(4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-yl]ethanone
Names & synonyms
SCHEMBL118055861-(6,6,9-Trimethyl-2-methylenecycloundeca-4,8-dien-1-yl)ethan-1-one
Database identifiers
- CAS
55987-49-0- PubChem CID
- 6436617
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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