Dibutyl terephthalate
PubChem CID: 16066
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| Compound Synonyms | DIBUTYL TEREPHTHALATE, 1962-75-0, 1,4-dibutyl benzene-1,4-dicarboxylate, dibutyl benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, dibutyl ester, Terephthalic acid, dibutyl ester, dibutylterephthalate, NSC 6349, butyl terephthalate, EINECS 217-803-9, 1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester, BRN 2137106, 7O6SH6VN97, AI3-11048, NSC-6349, EC 217-803-9, Di-n-butylterephthalate, UNII-7O6SH6VN97, MFCD00043939, di-n-butyl terephthalate, SCHEMBL37476, DTXSID3022168, NSC6349, CHEBI:180625, BAA96275, AKOS026676550, AS-57460, DB-319107, NS00010606, D93388, EN300-1699829, Q27268641, F8880-2472, 217-803-9 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dibutyl benzene-1,4-dicarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C16H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LQLQDKBJAIILIQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.37 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.508 |
| Compound Name | Dibutyl terephthalate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6116576 |
| Inchi | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| Smiles | CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients