(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
PubChem CID: 102066424
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| Compound Synonyms | CHEMBL4076847 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LEEGKLLLSOAIHN-VHBHCPIMSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.716 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.315 |
| Compound Name | (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.801801 |
| Inchi | InChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)6-8-14(16)12(4)15(17)9-13/h6,13-17H,1,4-5,7-9H2,2-3H3/b11-6-/t13-,14-,15+/m1/s1 |
| Smiles | C/C/1=C/C[C@H](C(=C)[C@H](C[C@@H](CC1)C(=C)C)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients