Basic information
- CAS
72102-75-1- Standard SMILES
CCC=CC=CC(OCC)OCC- InChIKey
IUCUZLBVRQWKAT-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2,4-Heptadiene, 1,1-diethoxy-
- IUPAC
- 1,1-diethoxyhepta-2,4-diene
Names & synonyms
DTXSID4072499RefChem:82615DTXCID20472201,1-Diethoxy-2,4-heptadiene2,4-Heptadiene, 1,1-diethoxy-IUCUZLBVRQWKAT-UHFFFAOYSA-N
Database identifiers
- CAS
72102-75-1- PubChem CID
- 3085705
- DTXSID
DTXSID4072499
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Heptadiene, 1,1-diethoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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