Phenol, 2,4-bis-(1,1-dimethylethyl), TMS
PubChem CID: 528937
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| Compound Synonyms | Phenol, 2,4-bis-(1,1-dimethylethyl), TMS, PNVRMDDGELICSY-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C[Si]Occcccc6)CC)C)C))))CC)C)C))))))C)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3,5-ditert-butylphenoxy)-trimethylsilane |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H30OSi |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PNVRMDDGELICSY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,4-bis(1,1-dimethylethyl)-phenol, 2,4-bis-(1,1-dimethylethyl)-phenol |
| Esol Class | Moderately soluble |
| Functional Groups | cO[Si](C)(C)C |
| Compound Name | Phenol, 2,4-bis-(1,1-dimethylethyl), TMS |
| Exact Mass | 278.207 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.207 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 278.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H30OSi/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18-19(7,8)9/h10-12H,1-9H3 |
| Smiles | CC(C)(C)C1=CC(=CC(=C1)O[Si](C)(C)C)C(C)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Wightii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958563