(1S,4R)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
PubChem CID: 11470026
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SRSPZMSNYAVIMD-ZFWWWQNUSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.691 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.526 |
| Compound Name | (1S,4R)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8874079999999998 |
| Inchi | InChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1 |
| Smiles | CC1=CC=C(C=C1)[C@@]2(C[C@H](CC2(C)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients