2,5,5-Trimethylhexa-2,3-diene
Basic information
- CAS
21020-30-4- Standard SMILES
CC(C)=C=CC(C)(C)C- InChIKey
XIXAOYUNUKDINI-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 2,5,5-Trimethylhexa-2,3-diene
- IUPAC
- 2,5,5-trimethylhexa-2,3-diene
Names & synonyms
2,5,5-Trimethylhexa-2,3-diene21020-30-4DTXSID40538251RefChem:247017DTXCID00489038SCHEMBL26093095
Database identifiers
- CAS
21020-30-4- PubChem CID
- 13360428
- DTXSID
DTXSID40538251
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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