3,7-Dimethyl-2,6-octadienoic acid
PubChem CID: 9989
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| Compound Synonyms | 3,7-Dimethyl-2,6-octadienoic acid, Decaprenoic acid, 3,7-Dimethylocta-2,6-dienoate, Geranic acid (6CI), (2Z)-3,7-DIMETHYL-2,6-OCTADIENOIC ACID, CHEMBL3182124, ZHYZQXUYZJNEHD-UHFFFAOYSA-N, AKOS028108459, NS00012491, NS00080777, F19915 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZHYZQXUYZJNEHD-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | liquid |
| Synonyms | (2E)-3,7-Dimethyl-2,6-octadienoic acid, (E)-Geranic acid, 2,6-Octadienoic acid, 3,7-dimethyl-, (2E)-, Geranic acid a, trans-Geranic acid |
| Heavy Atom Count | 12.0 |
| Compound Name | 3,7-Dimethyl-2,6-octadienoic acid |
| Description | Geranic acid, also known as 3,7-dimethylocta-2,6-dienoate or geranate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, geranic acid is considered to be a fatty acid lipid molecule. Geranic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Geranic acid, or 3,7-dimethyl-2,6-octadienoic acid, is a pheromone used by some organisms. It is a double bond isomer of nerolic acid . |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethylocta-2,6-dienoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12) |
| Smiles | CC(=CCCC(=CC(=O)O)C)C |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O2 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all