| CAS Number | 210555-94-5 |
| Catalog Number | AG00BFBU(AGN-PC-0QXDBQ) |
| Chemical Name | Phenol, 4-dodecyl-,branched |
| IUPAC Name | 4-(3,5,7-trimethylnonyl)phenol |
| InChI | InChI=1S/C18H30O/c1-5-14(2)12-16(4)13-15(3)6-7-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3 |
| InChI Key | ZLIZUPQZVMVLPA-UHFFFAOYSA-N |
| MDL Number | MFCD01106359 |
| Molecular Formula | C18H30O |
| Molecular Weight | 262.4302 |
| SMILES | CCC(C)CC(C)CC(C)CCC1=CC=C(O)C=C1 |
| Synonyms | Phenol, 4-dodecyl-, branched,
210555-94-5,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.437g/mol |
| Monoisotopic Mass | 262.23g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
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