Dibutyl ether
PubChem CID: 8909
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| Compound Synonyms | Butyl ether, DIBUTYL ETHER, Di-n-butyl ether, 142-96-1, 1-Butoxybutane, Butane, 1,1'-oxybis-, n-Butyl ether, Dibutyl oxide, Butyl oxide, Ether butylique, di-n-butylether, 1,1'-Oxybis(butane), 1,1'-oxydibutane, n-Dibutyl ether, CCRIS 6010, HSDB 306, 1-Butoxy-butane, UNII-PBM2R52P5G, NSC 8459, EINECS 205-575-3, BRN 1732752, 1,1'-Oxybisbutane, (n-C4H9)2O, DTXSID1022007, AI3-00402, NSC-8459, N-BUTYL ETHER [MI], PBM2R52P5G, DIBUTYL ETHER [HSDB], DTXCID002007, EC 205-575-3, 4-01-00-01520 (Beilstein Handbook Reference), UN 1149, Ether butylique [French], 5-Oxanonane, DIBUTYL ETHER (NORMAL) (BUTYL ETHER), DIBUTYL ETHER (NORMAL) {BUTYL ETHER}, butylether, butyloxide, dibutylether, dibutyloxide, n-butylether, 1Butoxybutane, Dinbutyl ether, nDibutyl ether, di n-butylether, din butyl ether, di-n butyl ether, di-1-butyl ether, nBu2O, di(1-butyl) ether, MFCD00009461, UN1149, Butane,1'-oxybis-, di-n-butyl, ether-, Butyl ether (8CI), Bu2O, BUTYL ETHERS, n-Bu2O, 1,1'Oxybis(butane), Butane, 1,1'oxybis, Di-(1-butyl) ether, 1-BUTOXY BUTANE, SCHEMBL15167, CHEMBL48132, Dibutyl ether, p.a., 99%, WLN: 4O4, NSC8459, Dibutyl ether, anhydrous, 99.3%, (C4H9)2O, Tox21_201037, STL280282, AKOS015915425, Dibutyl ether, ReagentPlus(R), >=99%, NCGC00248903-01, NCGC00258590-01, CAS-142-96-1, Dibutyl ether, purum, >=99.0% (GC), LS-13538, B0721, NS00004547, EN300-315383, A807991, Q1207808, F0001-0501 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.8 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-butoxybutane |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.55 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.104 |
| Compound Name | Dibutyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2737322 |
| Inchi | InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 |
| Smiles | CCCCOCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all