3,3-Dimethyl-1,6-heptadiene
Basic information
- CAS
68701-61-1- Standard SMILES
C=CCCC(C)(C)C=C- InChIKey
YWOCVROBRVNVFV-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1,6-heptadiene
- IUPAC
- 3,3-dimethylhepta-1,6-diene
- English name
- 3,3-Dimethyl-1,6-heptadiene
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
3,3-Dimethyl-1,6-heptadiene3,3-dimethylhepta-1,6-diene1,6-Heptadiene, 3,3-dimethyl-68701-61-1SCHEMBL14481279DTXSID10336569YWOCVROBRVNVFV-UHFFFAOYSA-N3,3-Dimethyl-1,6-heptadiene #
Database identifiers
- CAS
68701-61-1- PubChem CID
- 534658
- DTXSID
DTXSID10336569- Nikkaji
- J121.189G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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