1,3-Dioxolane, 2-(1-phenylethyl)-
PubChem CID: 97785
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| Compound Synonyms | 2-(1-Phenylethyl)-1,3-dioxolane, 4362-22-5, 1,3-Dioxolane, 2-(1-phenylethyl)-, 2-phenylpropanal ethylene acetal, G7I4277EKN, EINECS 224-449-9, NSC 39437, NSC-39437, 1,3-Dioxolane, 2-(alpha-methylbenzyl)-, AI3-31829, CHEBI:87596, DTXSID10863380, 2-(1-PHENYLETHYL)DIOXOLANE, UNII-G7I4277EKN, NSC39437, Hydratropic aldehyde cycloglycol acetal, 1, 2-(1-phenylethyl)-, SCHEMBL3506568, 1, 2-(.alpha.-methylbenzyl)-, DTXCID40812008, 1,1-Ethylenedioxy-2-phenylpropane, STL563157, AKOS006271847, 2-(1-Phenylethyl)-1,3-dioxolane #, 1,3-Dioxolane, 2-(.alpha.-methylbenzyl)-, NS00011934, 2-phenyl propionaldehyde ethylene glycol acetal, 2-PHENYLPROPANAL ETHYLENE GLYCOL ACETAL, Q27159761, 224-449-9 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-phenylethyl)-1,3-dioxolane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Is Pains | False |
| Molecular Formula | C11H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SATZAQAJSHXNSJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 1,3-Dioxolane, 2-(1-phenylethyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 178.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 178.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5090706615384617 |
| Inchi | InChI=1S/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
| Smiles | CC(C1OCCO1)C2=CC=CC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients