(1-Methylbutyl)cyclopentane
PubChem CID: 521217
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| Compound Synonyms | (1-Methylbutyl)cyclopentane, Pentane, 2-cyclopentyl-, pentan-2-ylcyclopentane, Cyclopentane, (1-methylbutyl)-, (pentan-2-yl)cyclopentane, CHEBI:87290, Q27159495 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentan-2-ylcyclopentane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Is Pains | False |
| Molecular Formula | C10H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXIYMCGSSPHRBV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (1-Methylbutyl)cyclopentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 140.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5608739999999997 |
| Inchi | InChI=1S/C10H20/c1-3-6-9(2)10-7-4-5-8-10/h9-10H,3-8H2,1-2H3 |
| Smiles | CCCC(C)C1CCCC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients