Basic information
- CAS
44914-94-5- Standard SMILES
C=CC(C)=CCCC(C)C- InChIKey
WUIFRGYQELQKDN-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Overview
3,7-Dimethyl-1,3-octadiene has been reported in Citrus reticulata, Aframomum melegueta, and other organisms with data available.
Names & identifiers
- Preferred name
- 3,7-Dimethyl-1,3-octadiene
- IUPAC
- 3,7-dimethylocta-1,3-diene
Names & synonyms
3,7-Dimethyl-1,3-octadiene3,7-dimethylocta-1,3-dieneDTXSID109155344914-94-5RefChem:272589DTXCID9065235(3Z)-3,7-dimethylocta-1,3-diene3,7-dimethyloctadieneSCHEMBL1552504SCHEMBL1552505SCHEMBL280765156874-36-8
Database identifiers
- CAS
44914-94-5- PubChem CID
- 92255
- DTXSID
DTXSID1091553
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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