Basic information
- CAS
40195-09-3- Standard SMILES
C=C(C)CCCC=C(C)C- InChIKey
FHCSXUVUZAASRT-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Names & identifiers
- Preferred name
- 1,6-Octadiene, 2,7-dimethyl-
- IUPAC
- 2,7-dimethylocta-1,6-diene
- English name
- 2,7-Dimethyl-1,6-octadiene
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
1,6-Octadiene, 2,7-dimethyl-2,7-Dimethyl-1,6-octadiene2,7-Dimethyl-2,7-octadiene40195-09-3DTXSID80334517RefChem:221640DTXCID90285607FHCSXUVUZAASRT-UHFFFAOYSA-N2,7-dimethylocta-1,6-dieneSCHEMBL3186465SCHEMBL7939611SCHEMBL11138456
Database identifiers
- CAS
40195-09-3- PubChem CID
- 520985
- DTXSID
DTXSID80334517- Nikkaji
- J129.169F
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
- 125
Physicochemical properties
- Boiling point
- 163.5 · 163.5-164.5 °C
- Density
- 0.759 · 0.759±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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