(5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
Basic information
- CAS
109789-13-1- Standard SMILES
C=CC(=C)C/C=C/C(C)(C)OO- InChIKey
FUIFIERPDQXBRC-SOFGYWHQSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
- IUPAC
- (5E)-7-hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
Names & synonyms
(5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene109789-13-1Hydroperoxide, 1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)-
Database identifiers
- CAS
109789-13-1- PubChem CID
- 6442873
- Nikkaji
- J576.851I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…