| Phytochemical Name : Ethyl 3,3-dimethylacrylate |
| PCNDIDE0078 |
| Pubchem CID : 12516 |
| Molecular formula: C7H12O2 |
| Canonical SMILES : CCOC(=O)C=C(C)C |
Synonymes : Ethyl 3,3-dimethylacrylate|638-10-8|Ethyl 3-methylbut-2-enoate|Ethyl 3-methylcrotonate|Ethyl 3-methyl-2-butenoate|Ethyl senecioate|Ethyl isobutenoate|3,3-Dimethylacrylic acid ethyl ester|2-Butenoic acid, 3-methyl-, ethyl ester|Ethyl isopropylideneacetate|Ethyl-Beta,Beta-Dimethyl Acrylate|Ethyl dimethylacrylate|CROTONIC ACID, 3-METHYL-, ETHYL ESTER|Ethyl beta-methylcrotonate|Ethyl isopropylidene acetate|NSC 61853|NSC 99208|3-Methyl-2-butenoic Acid Ethyl Ester|Ethyl beta,beta-dimethylacrylate|EINECS 211-319-1|Ethyl .beta.,.beta.-dimethylacrylate|BRN 1744854|AI3-32913|UNII-2Z69LO3855|NSC-61853|NSC-99208|2Z69LO3855|3-methyl-but-2-enoic acid ethyl ester|4-02-00-01556 (Beilstein Handbook Reference)|Ethyl3-methylbut-2-enoate|NCIOpen2_002201|Ethyl .beta.-methylcrotonate|SCHEMBL101514|dimethylacrylic acid ethyl ester|DTXSID0060931|UTXVCHVLDOLVPC-UHFFFAOYSA-|3-Methylcrotonic Acid Ethyl Ester|Ethyl 3,3-dimethylacrylate, 98%|SENECIOIC ACID, ETHYL ESTER|NSC61853|NSC99208|MFCD00009187|AKOS015841067|3-Methyl-2-butenoic acid, ethyl ester|AS-18468|LS-55604|CS-0015966|FT-0626359|FT-0668321|M1441|EN300-85518|O11780|A834532|W-104872|Q27255837|F8884-7003 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.320 |
| Log Po/w (XLOGP3) : 1.930 |
| Log Po/w (WLOGP) : 1.520 |
| Log Po/w (MLOGP) : 1.520 |
| Log Po/w (SILICOS-IT) : 1.160 |
| Consensus Log Po/w : 1.690 |