| Phytochemical Name : 2,2,4-Trimethylpentane |
| PCNDIDOT0475 |
| Pubchem CID : 10907 |
| Molecular formula: C8H18 |
| Canonical SMILES : CC(C)CC(C)(C)C |
Synonymes : 2,2,4-Trimethylpentane|Isooctane|540-84-1|Pentane, 2,2,4-trimethyl-|Isobutyltrimethylmethane|ISO-OCTANE|2,4,4-Trimethylpentane|i-octane|HSDB 5682|(CH3)2CHCH2C(CH3)3|EINECS 208-759-1|NSC 39117|BRN 1696876|UNII-QAB8F5669O|AI3-23976|QAB8F5669O|DTXSID7024370|CHEBI:62805|NSC-39117|EC 208-759-1|2, 2, 4-Trimethylpentane|4-01-00-00439 (Beilstein Handbook Reference)|MFCD00008943|Isobutyltrimethylethane|ISOOCTANE [MI]|ISOOCTANE [INCI]|Pentane,2,4-trimethyl-|2,2,4-trimethyl pentane|2,2,4-trimethyl-pentane|ISO-OCTANE [HSDB]|Trimethyl-2,2,4 pentane|Pentano, 2,2,4-trimetil-|DTXCID104370|CHEMBL1797261|NSC39117|2,2,4-Trimethylpentane, for HPLC|Tox21_201127|STL280330|2,2,4-Trimethylpentane, HPLC Grade|AKOS009159117|WLN: 1Y1&1X1&1&1|Isooctane; (2,2,4-Trimethylpentane)|2,2,4-Trimethylpentane, ACS, 99+%|2,2,4-Trimethylpentane, LR, >=99%|NCGC00248930-01|NCGC00258679-01|CAS-540-84-1|Trimethylpentane, 2,2,4-; (Isooctane)|2,2,4-Trimethylpentane, ASTM, 99.8%|2,2,4-Trimethylpentane, AR, >=99.5%|2,2,4-Trimethylpentane, JIS special grade|2,2,4-Trimethylpentane, p.a., 99.5%|LS-101778|2,2,4-Trimethylpentane, analytical standard|2,2,4-Trimethylpentane, anhydrous, 99.8%|2,2,4-Trimethylpentane, Environmental Grade|FT-0609110|I0276|T0481|T0715|2,2,4, Trimethyl Pentane Reagent Grade ACS|2,2,4-Trimethylpentane, for HPLC, >=99%|2,2,4-Trimethylpentane, Pesticide, 99.5%|2,2,4-Trimethylpentane, ACS reagent, 99.5%|2,2,4-Trimethylpentane, for HPLC, >=99.8%|2,2,4-Trimethylpentane, ACS reagent, >=99.0%|2,2,4-Trimethylpentane, HPLC grade, >=99.7%|2,2,4-Trimethylpentane, ReagentPlus(R), >=99%|Q209130|W-109087|2,2,4-Trimethylpentane, puriss. p.a., ACS reagent|2,2,4-Trimethylpentane, SAJ first grade, >=98.0%|2,2,4-Trimethylpentane, UV HPLC spectroscopic, 99.5%|2,2,4-Trimethylpentane, puriss. p.a., >=99.5% (GC)|Density Standard 692 kg/m3, H&D Fitzgerald Ltd. Quality|2,2,4-Trimethylpentane, ACS spectrophotometric grade, >=99%|2,2,4-Trimethylpentane, >=99.5%, suitable for absorption spectrum analysis|2,2,4-Trimethylpentane, puriss. p.a., ACS reagent, >=99.5% (GC)|2,2,4-Trimethylpentane (Isooctane), Pharmaceutical Secondary Standard; Certified Reference Material |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.620 |
| Log Po/w (XLOGP3) : 3.820 |
| Log Po/w (WLOGP) : 3.080 |
| Log Po/w (MLOGP) : 4.200 |
| Log Po/w (SILICOS-IT) : 2.170 |
| Consensus Log Po/w : 3.180 |

