Octahydro-4,8a-dimethyl-4a(2H)-naphthol
PubChem CID: 1213
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| Compound Synonyms | Octahydro-4,8a-dimethyl-4a(2H)-naphthol, 23333-91-7, 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol, 4a(2H)-Naphthol, octahydro-4,8a-dimethyl-, 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (+/-)-Geosmin, EINECS 245-590-2, 16452-32-7, 5173-69-3, DTXSID8051887, (4alpha,4aalpha,8aalpha)-Octahydro-4,8a-dimethyl-4a(2H)-naphthol, CCRIS 6592, 4,8a-Dimethyloctahydro-4a(2H)-naphthalenol, 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S,4aS,8aR)-, 104873-46-3, 11,12,13-Trinor-5-eudesmanol, 4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #, 4,8a-Dimethyl-decahydronaphthalen-4a-ol, 4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol, 2beta,6alpha-Dimethylbicyclo[4.4.0]decan-1beta-ol, Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol, 9CI, SCHEMBL979844, DTXCID6030447, EEA87346, MFCD00055578, AKOS015966824, (+/-)-Geosmin, >=97% (GC), 4,8a-dimethyl-decahydronaphthalene-4a-ol, FR162423, NS00013061, (4S,4?S,8?R)-4,8?-Dimethyl-1,2,3,4,5,6,7,-octahydronaphthalen-4?-ol, 245-590-2 |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Implicated in off-flavour of shellfish, freshwater fish, drinking water and some vegetables Geosmin, which literally translates to "earth smell", is an organic compound with a distinct earthy flavour and aroma, and is responsible for the earthy taste of beets and a contributor to the strong scent that occurs in the air when rain falls after a dry spell of weather (petrichor) or when soil is disturbed. The human nose is extremely sensitive to geosmin and is able to detect it at concentrations as low as 5 parts per trillion. Geosmin is found in corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 3.3 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Alcohols and polyols |
| Molecular Formula | C12H22O |
| Inchi Key | JLPUXFOGCDVKGO-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,10-Dimethyl-9-decalol, 11,12,13-Trinor-5-eudesmanol, 4,8a-Dimethyloctahydro-4a(2H)-naphthalenol, 4,8alpha-Dimethyl-octahydro-naphthalen-4alpha-ol, Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol, 9CI, 4,8a-dimethyloctahydro-4a(2H)-Naphthalenol, octahydro-4,8a-Dimethyl-4a(2H)-naphthalenol, 9ci |
| Compound Name | Octahydro-4,8a-dimethyl-4a(2H)-naphthol |
| Kingdom | Organic compounds |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3 |
| Smiles | CC1CCCC2(C1(CCCC2)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tertiary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all