(z)-3-Methyl-2-octenoicacid
Basic information
- CAS
90646-67-6- Standard SMILES
CCCCC/C(C)=C\C(=O)O- InChIKey
WJUCVNVYISECTJ-FPLPWBNLSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- (z)-3-Methyl-2-octenoicacid
- IUPAC
- (Z)-3-methyloct-2-enoic acid
Names & synonyms
90646-67-6NSC29888(z)-3-methyl-2-octenoicacidSCHEMBL15482674NSC-29888
Database identifiers
- CAS
90646-67-6- PubChem CID
- 5355237
- Nikkaji
- J1.063.462H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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