3,7-Dimethyloct-6-enyl 2-ethylbutyrate
Basic information
- CAS
94021-96-2- Standard SMILES
CCC(CC)C(=O)OCCC(C)CCC=C(C)C- InChIKey
RXKQGAANQROMQG-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
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Names & identifiers
- Preferred name
- 3,7-Dimethyloct-6-enyl 2-ethylbutyrate
- IUPAC
- 3,7-dimethyloct-6-enyl 2-ethylbutanoate
- English name
- 3,7-dimethyloct-6-enyl 2-ethylbutyrate
- Molecular formula
- C16H30O2
- Molecular weight
- 254.4082
Names & synonyms
3,7-Dimethyloct-6-enyl 2-ethylbutyrate94021-96-2EINECS 301-488-03,7-DIMETHYLOCT-6-EN-1-YL 2-ETHYLBUTANOATEDTXSID40916671RXKQGAANQROMQG-UHFFFAOYSA-NNS000637642-Ethylbutyric acid 3,7-dimethyl-6-octenyl ester
Database identifiers
- CAS
94021-96-2- PubChem CID
- 3023293
- DTXSID
DTXSID40916671- EC Number
- 301-488-0
- Nikkaji
- J367.944F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- LogP
- 6.087 · 6.087 (est)
Related reactions
0 records
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Compound notes
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