1-Butylspiro[2.2]pentane
PubChem CID: 22566
Connections displayed (default: 10).
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| Compound Synonyms | 6191-90-8, 1-Butylspiro[2.2]pentane, 1-BUTYLSPIROPENTANE, Spiropentane, butyl-, Spiropentane, 1-butyl-, 1-Butylspiro[2.2]pentane #, DTXSID00977460, TYYFRIFTXPYWNJ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butylspiro[2.2]pentane |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C9H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TYYFRIFTXPYWNJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.438 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.851 |
| Compound Name | 1-Butylspiro[2.2]pentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8881074 |
| Inchi | InChI=1S/C9H16/c1-2-3-4-8-7-9(8)5-6-9/h8H,2-7H2,1H3 |
| Smiles | CCCCC1CC12CC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients