Basic information
- CAS
2436-84-2- Standard SMILES
C=C(C)C=CCC(C)C- InChIKey
ZAWFTIGWVIIKNS-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 2,6-Dimethyl-1,3-heptadiene
- IUPAC
- 2,6-dimethylhepta-1,3-diene
- English name
- 2,6-Dimethyl-1,3-heptadiene.
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
2,6-dimethyl-1,3-heptadiene2436-84-2RefChem:83276isobutylisoprene2,6-dimethylhepta-1,3-dieneSCHEMBL1958323SCHEMBL3161660DTXSID001310898isogeraniolene2,6-Dimethyl-1,3-heptadiene.
Database identifiers
- CAS
2436-84-2- PubChem CID
- 520122
- DTXSID
DTXSID001310898
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -70.83 °C · -70.83°C (estimate)
- Boiling point
- 151.06 °C · 151.06°C (estimate)
- Density
- 0.7648 · 0.7648
- refractive index
- 1.4606 · 1.4606
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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