Phenyl acetaldehyde dimethyl acetal
PubChem CID: 60995
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| Compound Synonyms | 101-48-4, Phenylacetaldehyde dimethyl acetal, (2,2-Dimethoxyethyl)benzene, Viridine, 1,1-Dimethoxy-2-phenylethane, 2,2-dimethoxyethylbenzene, BENZENE, (2,2-DIMETHOXYETHYL)-, Hyscylene P, PADMA, Phenacetaldehyde dimethyl acetal, 2,2-Dimethoxy-1-phenylethane, 2-Phenylacetaldehyde dimethyl acetal, Phenylacetic aldehyde dimethyl acetal, Acetaldehyde, phenyl-, dimethyl acetal, phenyl acetaldehyde dimethyl acetal, alpha-Tolyl aldehyde dimethyl acetal, FEMA No. 2876, alpha-Tolylaldehyde dimethyl acetal, Ethane, 1,1-dimethoxy-2-phenyl-, NSC 5174, EINECS 202-945-6, P8C94L4MUR, .alpha.-Tolylaldehyde dimethyl acetal, PHENYLACETALDEHYDE DIMETHYLACETAL, BRN 0879360, DTXSID3047001, AI3-02444, NSC-5174, DTXCID1027001, 4-07-00-00664 (Beilstein Handbook Reference), PHENYLACETALDEHYDE DIMETHYL ACETAL [FCC], PHENYLACETALDEHYDE DIMETHYL ACETAL [FHFI], UNII-P8C94L4MUR, MFCD00008487, MANGANIAN ANDALUSITE, Benzene,2-dimethoxyethyl)-, SCHEMBL112281, (2,2-dimethoxyethyl)-benzene, phenylacetaldehyd-dimethylacetal, Ethane,1-dimethoxy-2-phenyl-, 1,1-Dimethoxy-2-phenyl-Ethane, CHEMBL3185401, WLN: 1OYO1 & 1R, FEMA 2876, WNJSKZBEWNVKGU-UHFFFAOYSA-, NSC5174, CHEBI:195781, (2,2-Dimethoxyethyl)benzene, 9CI, AAA10148, Phenylacetaldehyde dimethyl acetal, 1,1-dimethoxy-2-phenylethane, Phenyl acetaldehyde, dimethyl acetal, Tox21_300675, BBL011496, STL146608, AKOS005721112, Phenylacetaldehyde dimethyl acetal, 97%, NCGC00248137-01, NCGC00254583-01, CAS-101-48-4, VS-02961, NS00005769, P1161, Viridine [benzene (2,2-di-methoxy ethyl)], E79345, Phenylacetaldehyde dimethyl acetal, >=98%, FCC, Q27286370, InChI=1/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3, 202-945-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COCCcccccc6)))))))OC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethoxyethylbenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.1 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WNJSKZBEWNVKGU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (2,2-Dimethoxyethyl)-benzene, (2,2-Dimethoxyethyl)benzene, 9CI, &alpha, -tolylaldehyde dimethyl acetal, 1,1-Dimethoxy-2-phenyl-ethane, 1,1-Dimethoxy-2-phenylethane, 2-Phenylacetaldehyde dimethyl acetal, 2,2-Dimethoxy-1-phenylethane, Acetaldehyde, phenyl-, dimethyl acetal, Alpha-tolyl aldehyde dimethyl acetal, Alpha-tolylaldehyde dimethyl acetal, Benzene, (2,2-dimethoxyethyl)-, Ethane, 1,1-dimethoxy-2-phenyl-, FEMA 2876, Hyscylene p, Padma, Phenacetaldehyde dimethyl acetal, Phenylacetaldehyde dimethyl acetal, Phenylacetaldehyde dimethylacetal, Phenylacetic aldehyde dimethyl acetal, Viridine, Viridine [benzene (2,2-di-methoxy ethyl)], (2,2-Dimethoxyethyl)benzene, 9ci, alpha-Tolyl aldehyde dimethyl acetal, alpha-Tolylaldehyde dimethyl acetal, Hyscylene P, viridine [benzene (2,2-di-methoxy ethyl)] |
| Esol Class | Soluble |
| Functional Groups | COC(C)OC |
| Compound Name | Phenyl acetaldehyde dimethyl acetal |
| Kingdom | Organic compounds |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 |
| Smiles | COC(CC1=CC=CC=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1331