Methoxyacetic acid, cyclopentyl ester
PubChem CID: 550010
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| Compound Synonyms | Methoxyacetic acid, cyclopentyl ester, Cyclopentyl methoxyacetate #, SFUGJRHSCRIYCR-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | COCC=O)OCCCCC5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclopentyl 2-methoxyacetate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O3 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | SFUGJRHSCRIYCR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | methoxyacetic acid, cyclopentyl ester |
| Esol Class | Very soluble |
| Functional Groups | COC, COC(C)=O |
| Compound Name | Methoxyacetic acid, cyclopentyl ester |
| Exact Mass | 158.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 158.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H14O3/c1-10-6-8(9)11-7-4-2-3-5-7/h7H,2-6H2,1H3 |
| Smiles | COCC(=O)OC1CCCC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ascalonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662606