Acetic acid;7-methoxy-3,7-dimethyloct-5-en-1-yn-3-ol
Basic information
- CAS
76436-86-7- Standard SMILES
C#CC(C)(O)CC=CC(C)(C)OC.CC(=O)O- InChIKey
MEPBVNKYDYVGQE-UHFFFAOYSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- Acetic acid;7-methoxy-3,7-dimethyloct-5-en-1-yn-3-ol
- IUPAC
- acetic acid;7-methoxy-3,7-dimethyloct-5-en-1-yn-3-ol
Names & synonyms
76436-86-7DTXSID20824447Acetic acid--7-methoxy-3,7-dimethyloct-5-en-1-yn-3-ol (1/1)
Database identifiers
- CAS
76436-86-7- PubChem CID
- 71403545
- DTXSID
DTXSID20824447
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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