Thujyl alcohol
PubChem CID: 12304610
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| Compound Synonyms | (-)-Thujol, Thujyl alcohol, 21653-20-3, 193IW486Z8, (-)-3-NEOISOTHUJANOL, THUJOL, (-)-, FEMA NO. 4079, DTXSID80885170, 3-NEOISOTHUJANOL, (-)-, 3-Thujol, Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4R,5R)-, THUJYL ALCOHOL, (1S,3S,4R,5R)-, Bicyclo(3.1.0)hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4R,5R)-, (1S,3S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol, BICYCLO(3.1.0)HEXAN-3-OL, 4-METHYL-1-(1-METHYLETHYL)-, (1S-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.ALPHA.))-, (1S,3S,4R,5R)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol, (1S,3S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol, (1S,3S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol, THUJAN-4-OL [FHFI], SCHEMBL3741642, CHEMBL3277900, UNII-193IW486Z8, DZVXRFMREAADPP-IMSYWVGJSA-N, DTXCID301024567, EINECS 244-504-0, NS00088853, Q27252064, Bicyclo3.1.0hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4R,5R)-, (1S-(1alpha,3alpha,4alpha,5alpha))-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol, BICYCLO(3.1.0)HEXAN-3-OL, 4-METHYL-1-(1-METHYLETHYL)-, (1S-(1ALPHA,3ALPHA,4ALPHA,5ALPHA))- |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DZVXRFMREAADPP-IMSYWVGJSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | Thujyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,3S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.3368686 |
| Inchi | InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1 |
| Smiles | C[C@@H]1[C@H]2C[C@]2(C[C@@H]1O)C(C)C |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients