2-Buten-1-one, 1-[1,5,9(or 1,5,10)-trimethyl-1,5,9-cyclododecatrienyl]-
Basic information
- CAS
71735-84-7- Standard SMILES
C/C=C/C(=O)[C@@H]1C/C(C)=C/CC/C(C)=C/CC/C=C/1C- InChIKey
WYHYCHKUFYQWGB-ZCWNYRAXSA-N- Molecular formula
- C19H28O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.21401551
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1-[1,5,9(or 1,5,10)-trimethyl-1,5,9-cyclododecatrienyl]-
- IUPAC
- (E)-1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]but-2-en-1-one
Names & synonyms
Crotonyl-1,5(or 6),9-trimethyl-1,5,9-cyclododecatriene2-Buten-1-one, 1-(1,5,9(or 1,5,10)-trimethyl-1,5,9-cyclododecatrienyl)-2-Buten-1-one, 1-[1,5,9(or 1,5,10)-trimethyl-1,5,9-cyclododecatrienyl]-RefChem:46742671735-84-7WYHYCHKUFYQWGB-ZCWNYRAXSA-N
Database identifiers
- CAS
71735-84-7- PubChem CID
- 6450396
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Buten-1-one, 1-[1,5,9(or 1,5,10)-trimethyl-1,5,9-cyclododecatrienyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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