Basic information
- Standard SMILES
C=CC(C)CC=C(C)C- InChIKey
JNUKYTOGXQONSJ-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1,5-heptadiene
- IUPAC
- 3,6-dimethylhepta-1,5-diene
Names & synonyms
3,6-Dimethyl-1,5-heptadiene1,5-Heptadiene, 3,6-dimethyl-SCHEMBL2048567SCHEMBL39455663,6-dimethyl-hepta-1,5-dieneJNUKYTOGXQONSJ-UHFFFAOYSA-N3,6-Dimethyl-1,5-heptadiene #DTXSID001358010
Database identifiers
- PubChem CID
- 520704
- DTXSID
DTXSID001358010- Nikkaji
- J121.228A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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