1,8-Dimethyl-4-(propan-2-yl)spiro[4.5]dec-8-en-7-one
PubChem CID: 179370
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| Compound Synonyms | DTXSID90944247, 1,8-dimethyl-4-(propan-2-yl)spiro[4.5]dec-8-en-7-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBTHUBMUAHAWBC-QNIGDANOSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.187 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.083 |
| Compound Name | 1,8-Dimethyl-4-(propan-2-yl)spiro[4.5]dec-8-en-7-one |
| Prediction Hob Swissadme | 0.0 |
| 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 | -3.8303071999999996 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15?/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C12CC=C(C(=O)C2)C)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients