2-Formyl-3-methyl-alpha-methylidenecyclopentaneacetaldehyde
PubChem CID: 534263
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| Compound Synonyms | SCHEMBL1301969, BORBLDJNKYHVJP-UHFFFAOYSA-N, 2-(1-Formylvinyl)-5-methylcyclopentanecarbaldehyde #, 2-formyl-3-methyl-alpha-methylidenecyclopentaneacetaldehyde |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 1.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BORBLDJNKYHVJP-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.815 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.956 |
| Compound Name | 2-Formyl-3-methyl-alpha-methylidenecyclopentaneacetaldehyde |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -1.6175640000000002 |
| Inchi | InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3 |
| Smiles | CC1CCC(C1C=O)C(=C)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Monocyclic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Doederleinii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Teucrium Marum (Plant) Rel Props:Source_db:cmaup_ingredients