Basic information
- CAS
74630-29-8- Standard SMILES
C=CC(C)(C)CC(C)=CC- InChIKey
LYSNVLBVPTUPMT-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Names & identifiers
- Preferred name
- 1,5-Heptadiene, 3,3,5-trimethyl-
- IUPAC
- 3,3,5-trimethylhepta-1,5-diene
- English name
- 3,3,5-Trimethyl-1,5-heptadiene
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
74630-29-8DTXSID203385341,5-Heptadiene, 3,3,5-trimethyl-RefChem:221395DTXCID80289619LYSNVLBVPTUPMT-RMKNXTFCSA-N3,3,5-trimethylhepta-1,5-dieneSCHEMBL11765521SCHEMBL117665243,3,5-Trrimethylhepta-1,5-diene3,3,5-Trimethyl-1,5-heptadiene
Database identifiers
- CAS
74630-29-8- PubChem CID
- 549686
- DTXSID
DTXSID20338534
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 154.7 · 154.7±10.0 °C(Predicted)
- Density
- 0.758 · 0.758±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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