Completing data — usually done within a minute
Basic information
- CAS
61640-41-3- Standard SMILES
C=C(C)CC=CC=C(C)C- InChIKey
PHYKXFWYIKUYFR-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- 1,4,6-Octatriene, 2,7-dimethyl-, (E)-
- IUPAC
- 2,7-dimethylocta-1,4,6-triene
Names & synonyms
1,4,6-Octatriene, 2,7-dimethyl-, (E)-2,7-dimethylocta-1,4,6-triene61640-41-3SCHEMBL11833456DTXSID503359302,7-dimethyl-1,4,6-octatriene
Database identifiers
- CAS
61640-41-3- PubChem CID
- 528038
- DTXSID
DTXSID50335930
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Related reactions
3 records
Compound notes
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