(3S)-2-ethenyl-2-methyl-5-propan-2-ylidene-3-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID: 5319812
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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 | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-2-ethenyl-2-methyl-5-propan-2-ylidene-3-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | NXYYOMZNPGACRA-NFOMZHRRSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.454 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.676 |
| Compound Name | (3S)-2-ethenyl-2-methyl-5-propan-2-ylidene-3-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7139072 |
| Inchi | InChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7,13-14,16H,1,4,8-9H2,2-3,5-6H3/t13-,14?,15?/m0/s1 |
| Smiles | CC(=C1C[C@H](C(C(C1)O)(C)C=C)C(=C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polytrichum Commune (Plant) Rel Props:Source_db:cmaup_ingredients