Basic information
- CAS
255714-11-5- Standard SMILES
CC=C(C)C(=O)OCCC(C)CCC=C(C)C- InChIKey
UCFQYMKLDPWFHZ-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
See also: Citronellyl tiglate (annotation moved to).
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-
- IUPAC
- 3,7-dimethyloct-6-enyl 2-methylbut-2-enoate
Names & synonyms
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-255714-11-5DTXSID30475563,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate3,7-dimethyloct-6-enyl 2-methylbut-2-enoate(E)-citronellyl tiglateCHEMBL3184967SCHEMBL16356747
Database identifiers
- CAS
255714-11-5- PubChem CID
- 90592
- DTXSID
DTXSID3047556- ChEMBL
CHEMBL3184967
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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