Methyl tert-butyl ether
PubChem CID: 15413
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| Compound Synonyms | tert-Butyl methyl ether, Methyl tert-butyl ether, 1634-04-4, MTBE, 2-Methoxy-2-methylpropane, Methyl t-butyl ether, Propane, 2-methoxy-2-methyl-, T-BUTYL METHYL ETHER, Methyl-tert-butyl ether, Methyl tertiary-butyl ether, Methyl-t-butyl ether, 2-Methyl-2-methoxypropane, Ether, tert-butyl methyl, tert-Butylmethyl ether, Methyl 1,1-dimethylethyl ether, tert-butylmethylether, tert-C4H9OCH3, 1,1-dimethylethyl methyl ether, Methyl tert butyl ether, methyltertbutyl ether, CCRIS 7596, CHEBI:27642, HSDB 5847, Methyl Tertiary Butyl Ether, EINECS 216-653-1, UN2398, BRN 1730942, methyl tertbutyl ether, methyltert-butyl ether, tertbutyl methyl ether, DTXSID3020833, methyl-tert-butyl-ether, 29I4YB3S89, TERT-BUTOXYMETHANE, MFCD00008812, DTXCID30833, tert-butyl-d9 methyl ether, (METHYL)(TERT-BUTYL)ETHER, EC 216-653-1, 1219795-06-8, 4-01-00-01615 (Beilstein Handbook Reference), METHYL TERT-BUTYL ETHER [MI], METHYL TERT-BUTYL ETHER [IARC], TERT-BUTYLMETHYL ETHER [USP-RS], tBME, tert-BuOMe, METHYL TERT-BUTYL ETHER (IARC), TERT-BUTYLMETHYL ETHER (USP-RS), 2-methoxy-2-methyl-propane, methyl-t-butylether, t-butylmethyl ether, tertbutylmethyl ether, Methyl-tert-butylether, tert-Butyl methyl ether, for HPLC, >=99.8% (GC), Methyl tert-butyl ether (MTBE) 1000 microg/mL in Methanol, Driveron, UNII-29I4YB3S89, MeOtBu, tBuOMe, t-butylmethylether, methylterbutyloxide, methyltertbutylether, tertbutylmethylether, methyl t-butylether, methylt-butyl ether, t-BuOMe, t-butyl methylether, t-butyl-methylether, tbutyl methyl ether, tert-butylmethyether, MTBE ACS grade, tert.butylmethylether, Metil-terc-butileter, t-butyl methyi ether, t-butyl-methyl ether, t-butyl-methyl-ether, methyl tert-butylether, methyl-tert.butylether, methyl-tertbutyl ether, methyl-tertbutyl-ether, tert -butylmethylether, tert butylmethyl ether, tert-butyl-methylether, tert. butylmethylether, tert.-butylmethylether, tert.butyl-methylether, tert.butylmethyl ether, tertbutyl(methyl)ether, 2Methoxy2methylpropane, 2Methyl2methoxypropane, Tert-butyl methylether, methy tert-butyl ether, methyl ter-butyl ether, metyl tert-butyl ether, ter-butyl methyl ether, tert-buty methyl ether, tert-buyl methyl ether, methyl tert.-butylether, methyl tert.butyl ether, methyl-tert butyl ether, methyl-tert. butylether, methyl-tert.-butylether, methyl-tert.butyl ether, tert-butyl-methyl ether, tert-butyl-methyl-ether, tert. butyl-methylether, tert.-butyl methylether, tert.-butyl-methylether, tert.-butylmethyl ether, tert.butyl methyl ether, Ether, tertbutyl methyl, Tert butyl methyl ether, methoxy-2-methyl propane, methyl tert.-butyl ether, methyl-tert. butyl ether, tert. butyl-methyl-ether, tert.-butyl methyl ether, tert.-butyl-methyl ether, tert.-butyl-methyl-ether, methyl tertiarybutyl ether, methyl-tertiarybutyl ether, Propane, 2methoxy2methyl, tert. Butyl methyl ether, tertiary butylmethyl ether, methyl tert.- butyl ether, Epitope ID:122671, tertiary-butyl methyl ether, Ether methyl tert-butylique, Tertiary butyl methyl ether, 2-methoxy-2-methyl propane, 2-methyl-2-methoxy propane, (CH3)3COCH3, Methyl 1,1dimethylethyl ether, Metil-terc-butileter (Spanish), Methyl-1,1-dimethylethyl ether, CHEMBL1452799, tert-Butylmethyl ether, HPLC Grade, T-BUTYL METHYL ETHER [INCI], Tox21_201184, Ether methyl tert-butylique (French), tert-Butyl methyl ether, HPLC grade, AKOS000121105, tert-Butyl methyl ether, LR, >=99%, UN 2398, NCGC00091717-01, NCGC00091717-02, NCGC00258736-01, tert-Butyl methyl ether, p.a., 99.5%, CAS-1634-04-4, tert-Butyl methyl ether, AR, >=99.5%, DB-030412, B0991, NS00008307, tert-Butyl methyl ether, analytical standard, tert-Butyl methyl ether, anhydrous, 99.8%, tert-Butyl methyl ether, reagent grade, 98%, tert-Butyl methyl ether, for HPLC, >=99.8%, tert-Butyl methyl ether, for HPLC, >=99.9%, tert-Butyl methyl ether, reagent grade, >=98%, Methyl-tert-butylether 100 microg/mL in Methanol, Q412346, tert-Butyl methyl ether, ACS reagent, >=99.0%, tert-Butylmethyl ether 100 microg/mL in Methanol, Methyl tert-butyl ether 2000 microg/mL in Methanol, Methyl tert-butyl ether [UN2398] [Flammable liquid], MTBE ACS grade trace metal grade, stainless steel drum, tert-Butyl methyl ether, HPLC grade, for HPLC, 99.8%, tert-Butyl methyl ether, puriss. p.a., >=99.5% (GC), tert-Butyl methyl ether, SAJ special grade, >=99.0%, TERT-BUTYL METHYL ETHER (METHYL TERT-BUTYL ETHER), tert-Butyl Methyl Ether, Pharmaceutical Secondary Standard, Certified Reference Material, tert-Butyl methyl ether, United States Pharmacopeia (USP) Reference Standard, 216-653-1 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 33.7 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352 |
| Iupac Name | 2-methoxy-2-methylpropane |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Target Id | NPT94 |
| Xlogp | 0.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Molecular Formula | C5H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZLVMXJERCGZMT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.595 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.191 |
| Synonyms | 2-Methoxy-2-methylpropane, 2-Methyl-2-methoxypropane, Methyl 1,1-dimethylethyl ether, Methyl t-butyl ether, Methyl tertiary-butyl ether, MTBE, t-Butyl methyl ether, Tert-butyl methyl ether, Tert-C4H9OCH3, Methyl tert-butyl ether |
| Compound Name | Methyl tert-butyl ether |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0888 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0888 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.9127299999999998 |
| Inchi | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 |
| Smiles | CC(C)(C)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkyl ethers |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all