Dilauryl phthalate
PubChem CID: 17082
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| Compound Synonyms | Didodecyl phthalate, 2432-90-8, Dilauryl phthalate, Di-n-dodecyl phthalate, didodecyl benzene-1,2-dicarboxylate, Phthalic acid, didodecyl ester, 1,2-Benzenedicarboxylic acid, didodecyl ester, U4DS0Z43HQ, Phthalic acid, bis-dodecyl ester, NSC-68022, VINYCIZER 126, BIS-DIDECYLPHTHALATE, DIDODECYLPHTHALATE, 1,2-Benzenedicarboxylic acid, 1,2-didodecyl ester, EINECS 219-415-5, NSC 68022, BRN 2309340, AI3-04285, 1, didodecyl ester, UNII-U4DS0Z43HQ, SCHEMBL126361, DTXSID1062419, NSC68022, AKOS027446342, FD182847, NS00027621, G77591 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCOC=O)cccccc6C=O)OCCCCCCCCCCCC |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | didodecyl benzene-1,2-dicarboxylate |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 13.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H54O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PUFGCEQWYLJYNJ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | didodecyl phthalate |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=O)OC |
| Compound Name | Dilauryl phthalate |
| Exact Mass | 502.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 502.402 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 502.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222 - 2. Outgoing r'ship
FOUND_INto/from Mukia Maderaspatana (Plant) Rel Props:Reference:ISBN:9770972795006