Basic information
- CAS
93163-47-4- Standard SMILES
C/C(=C/C(=O)O)CCCC(C)(C)c1ccccc1- InChIKey
ZHNWDZZPTMYOST-SEYXRHQNSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 2-Octenoic acid, 3,7-dimethyl-7-phenyl-
- IUPAC
- (Z)-3,7-dimethyl-7-phenyloct-2-enoic acid
Names & synonyms
2-OCTENOIC ACID, 3,7-DIMETHYL-7-PHENYL-93163-47-4RefChem:1063968BRN 33085643,7-Dimethyl-7-phenyl-2-octenoic acid4-09-00-02164 (Beilstein Handbook Reference)
Database identifiers
- CAS
93163-47-4- PubChem CID
- 6435522
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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