2(S)-hydroxyalbicanol
PubChem CID: 102103747
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| Compound Synonyms | 2(S)-hydroxyalbicanol, CHEBI:220992, (2S,4aS,8S,8aS)-8-(hydroxymethyl)-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,4aS,8S,8aS)-8-(hydroxymethyl)-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | INQBCRWRVGGZER-PWNZVWSESA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.004 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.713 |
| Compound Name | 2(S)-hydroxyalbicanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8962002 |
| Inchi | InChI=1S/C15H26O2/c1-10-5-6-13-14(2,3)7-11(17)8-15(13,4)12(10)9-16/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m0/s1 |
| Smiles | C[C@]12C[C@H](CC([C@@H]1CCC(=C)[C@@H]2CO)(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Milii (Plant) Rel Props:Source_db:cmaup_ingredients