1,2-Diisopropylbenzene
PubChem CID: 11345
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-DIISOPROPYLBENZENE, 25321-09-9, DIISOPROPYLBENZENE, 577-55-9, Benzene, 1,2-bis(1-methylethyl)-, o-Diisopropylbenzene, Benzene, o-diisopropyl-, 1,2-di(propan-2-yl)benzene, 1,2-Bis(1-methylethyl)benzene, 1,2-bis(propan-2-yl)benzene, 6E5460R9HG, HSDB 6773, EINECS 209-412-7, BRN 2040995, UNII-6E5460R9HG, diisopropyl benzene, di-isopropyl benzene, MFCD00054263, DSSTox_CID_7858, DSSTox_RID_78593, DSSTox_GSID_27858, CHEMBL3188905, DTXSID30860336, ABA32109, Benzene, 1,2-di-(1-methylethyl), Diisopropylbenzene (contains isomer), Tox21_202758, AKOS015890799, 1,2-DIISOPROPYLBENZENE [HSDB], NCGC00260305-01, LS-14114, CAS-25321-09-9, NS00003402, D89744, Q27264653 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05412 |
| Iupac Name | 1,2-di(propan-2-yl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKIRBHVFJGXOIS-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.213 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.685 |
| Compound Name | 1,2-Diisopropylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5933888000000005 |
| Inchi | InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3 |
| Smiles | CC(C)C1=CC=CC=C1C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all