2,6-Dimethylhept-5-enyl acetate
Basic information
- CAS
51979-48-7- Standard SMILES
CC(=O)OCC(C)CCC=C(C)C- InChIKey
CFBVAIAOJMGBLS-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2,6-Dimethylhept-5-enyl acetate
- IUPAC
- 2,6-dimethylhept-5-enyl acetate
- English name
- 2,6-dimethylhept-5-enyl acetate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
2,6-dimethylhept-5-enyl acetate51979-48-72,6-dimethylhept-5-en-1-yl acetateNSC46307DTXSID50286519NSC-46307DB-2508935-Hepten-1-ol, 2,6-dimethyl-, 1-acetate
Database identifiers
- CAS
51979-48-7- PubChem CID
- 240231
- DTXSID
DTXSID50286519
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 239.4 · 239.4±19.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
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Compound notes
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