(1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID: 130742583
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JQMCHZCJLKMHFF-QMMMGPOBSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.031 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.557 |
| Compound Name | (1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1886624 |
| Inchi | InChI=1S/C10H18O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h8,11-12H,4-6H2,1-3H3/t8-/m0/s1 |
| Smiles | CC1=C(C(C[C@H](C1)O)(C)C)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients