Dolichodial
PubChem CID: 442422
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| Compound Synonyms | Dolichodial, (-)-Dolichodial, Dolichodial [MI], 5951-57-5, (+/-)-Dolichodial, Dolichodial, (-)-, Iridial, (cis,Trans)-dolichodial, (1S,2R,3S)-Dolichodial, 1KLH0PK5RS, Dolichodial (1S,2R,3S)-form [MI], D08WL9YC5Q, (1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehyde, (1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carbaldehyde, 60478-52-6, (1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde, 1198-22-7, UNII-1KLH0PK5RS, UNII-D08WL9YC5Q, CHEBI:4685, 2-Formyl-3-methyl-alpha-methylenecyclopentaneacetaldehyde, SCHEMBL24228257, DTXSID00331826, Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1S,2R,3S)-, LMPR0102070037, Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1R,2S,3R)-rel-, DB-309642, C09777, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENECYCLOPENTANEACETALDEHYDE, (1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentanecarbaldehyde, (1S,2R,3S)-2-FORMYL-3-METHYL-.ALPHA.-METHYLENECYCLOPENTANEACETALDEHYDE, CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1R,2S,3R)-REL-, CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1S,2R,3S)-, Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1alpha,2alpha,3beta)-, CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1.ALPHA.,2.ALPHA.,3.BETA.)-, CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1S-(1.ALPHA.,2.ALPHA.,3.BETA.))- |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BORBLDJNKYHVJP-FXBDTBDDSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.822 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.219 |
| Compound Name | Dolichodial |
| 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 |
| 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/t7-,9+,10+/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]([C@@H]1C=O)C(=C)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Teucrium Alyssifolium (Plant) Rel Props:Reference: - 2. Outgoing r'ship
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FOUND_INto/from Teucrium Marum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
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