| Phytochemical Name : 3,3-Dimethylpentane |
| PCNDIDOT0700 |
| Pubchem CID : 11229 |
| Molecular formula: C7H16 |
| Canonical SMILES : CCC(C)(C)CC |
Synonymes : 3,3-DIMETHYLPENTANE|562-49-2|Pentane, 3,3-dimethyl-|Pentane,3,3-dimethyl-|3,3,-dimethylpentane|3.3-Dimethyl pentane|UNII-R1RH0VBD2L|R1RH0VBD2L|DTXSID0049319|EINECS 209-230-8|NSC 74150|NSC-74150|NSC74150|3,3-dimethyl-pentane|3,3-Dimethylpentane, 99%|CHEMBL3188231|DTXCID9029275|(C2H5)2C(CH3)2|Tox21_202848|MFCD00009322|AKOS015841871|NCGC00260394-01|CAS-562-49-2|FT-0614083|Q2815978 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.430 |
| Log Po/w (XLOGP3) : 3.570 |
| Log Po/w (WLOGP) : 2.830 |
| Log Po/w (MLOGP) : 3.870 |
| Log Po/w (SILICOS-IT) : 1.900 |
| Consensus Log Po/w : 2.920 |