Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C15H22O2
- Molecular weight
- 234.33 g/mol
- IUPAC name
- (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
- SMILES
- C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
- InChIKey
- FEBNTWHYQKGEIQ-SUKRRCERSA-N
- XLogP
- 3.2
- Polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 234.161979944
Show 6 more facts
- chemical formula
- C₁₅H₂₂O₂
- different from
- valeric acid
- isomeric SMILES
- C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
- found in taxon
- Valeriana wolgensis
- canonical SMILES
- O=C(O)C(=CC1C2=C(C)CCC2C(C)CC1)C
- Commons category
- Valerenic acid
via Wikidata · CC0