2-Methyltetrahydrofuran

Details

• Internal ID: f52accc2-9709-4e69-b8d5-0de4ebfd078d
• Taxonomy: Organoheterocyclic compounds > Tetrahydrofurans
• IUPAC Name: 2-methyloxolane
• SMILES (Canonical): CC1CCCO1
• SMILES (Isomeric): CC1CCCO1
• InChI: InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
• InChI Key: JWUJQDFVADABEY-UHFFFAOYSA-N
• Popularity: 1,148 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀O
• Molecular Weight: 86.13 g/mol
• Exact Mass: 86.073164938 g/mol
• Topological Polar Surface Area (TPSA): 9.20 Ų
• XlogP: 1.00

Synonyms

• 96-47-9
• 2-Methyloxolane
• Methyltetrahydrofuran
• Tetrahydro-2-methylfuran
• Tetrahydrosylvan
• Furan, tetrahydro-2-methyl-
• Furan, 2-methyl-tetrahydro-
• 25265-68-3
• 2-MeTHF
• Tetrahydrosilvan
• Furan, tetrahydromethyl-
• FCD0VD8ALF
• DTXSID9030258
• NSC-2115
• MFCD00005367
• 2-methyl tetrahydrofuran
• methyl tetrahydrofuran
• 2-methyl-tetrahydrofuran
• UNII-FCD0VD8ALF
• NSC 2115
• EINECS 202-507-4
• 2-methyl-tetrahydro-furan
• BRN 0102448
• AI3-25425
• CCRIS 8717
• 2-Methylfuranidine
• MeTHF
• tetrahydromethylfuran
• EINECS 246-769-8
• UN2536
• methyl-tetrahydrofuran
• Me-THF
• 2-Methyletrahydrofuran
• Methyl tetrahydrofurane
• 2-methyltetrahyrdofuran
• 2-methyltetrahydrofurane
• 2-methyl tetrahydrofurane
• 2-methyl-tetrahydrofurane
• EC 202-507-4
• Tetrahydrofuran, 2-methyl-
• WLN: T5OTJ B1
• 5-17-01-00078 (Beilstein Handbook Reference)
• (2S)-2-methyltetrahydrofuran
• CHEMBL1580503
• DTXCID7010258
• NSC2115
• BCP16203
• STR08776
• Tox21_200383
• 2-METHYLTETRAHYDROFURAN [MI]
• AKOS009157664
• AM81816
• (+/-)-2-METHYLTETRAHYDROFURAN
• CAS-96-47-9
• NCGC00090914-01
• NCGC00090914-02
• NCGC00257937-01
• 2-Methyltetrahydrofuran, analytical standard
• CS-0010107
• FT-0613084
• M0437
• EN300-60207
• E80342
• 2-Methyltetrahydrofuran, purum, >=97.0% (GC)
• Q209444
• Methyltetrahydrofuran [UN2536] [Flammable liquid]
• Q-200307
• 2-Methyltetrahydrofuran, 99+%, unstabilized, Extra Dry
• 4-amino-chroman-8-carboxylicacidmethylesterhydrochloride
• 2-Methyltetrahydrofuran, anhydrous, >=99%, Inhibitor-free
• 2-Methyltetrahydrofuran, absolute, stored over molecular sieve
• 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm
• 2-Methyltetrahydrofuran, anhydrous, >=99.0%, contains 250 ppm BHT as stabilizer
• 2-Methyltetrahydrofuran, ReagentPlus(R), >=99.5%, contains 150-400 ppm BHT as stabilizer
• 2-Methyltetrahydrofuran, anhydrous, contains 250 ppm BHT as stabilizer, ZerO2(TM), >=99.0%

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3137262	O60341	LSD1/CoREST complex	89.38%	97.09%
CHEMBL5203	P33316	dUTP pyrophosphatase	85.30%	99.18%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	84.30%	98.99%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.16%	92.94%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.10%	97.25%

Plants that contains it

• Coffea arabica
• Theobroma cacao

Cross-Links

• PubChem: 7301
• LOTUS: LTS0211573
• wikiData: Q209444