1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine

C187H343N17O22 — CID 161273650

IUPAC1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine
SMILESC=C1CC[C@@H](COC(C)(C)C)C1.C=C1CC[C@H](COC(C)(C)C)C1.C=C1C[C@@H](COC(C)(C)C)CN1.C=C1C[C@H](COC(C)(C)C)CN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCOC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OC[C@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)OCc1cccnc1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)CCC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/2C11H20O.C11H22O.C11H16O.2C10H18N2O.2C10H19NO2.2C10H19NO.C10H15NO.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c2*1-9-5-6-10(7-9)8-12-11(2,3)4;2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;2*1-10(2,3)13-7-8-4-5-11-9(12)6-8;2*1-8-5-9(6-11-8)7-12-10(2,3)4;1-10(2,3)12-8-9-5-4-6-11-7-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;2*1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)9-6-7-4-5-7/h2*10H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;2*8H,4-7H2,1-3H3,(H,11,12);2*9,11H,1,5-7H2,2-4H3;4-7H,8H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3/t2*10-;;;;;2*8-;2*9-;;;;;;;;;/m10....1010........./s1
InChIKeyVEDPYWQMBORSPH-DMRYOHRWSA-N
MW3181.90 g/mol
LogP42.67
Rot. Bonds40

About 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine

1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine (PubChem CID 161273650) has the molecular formula C187H343N17O22 and a molecular weight of 3181.90 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine.

Molecular Properties

Compound Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine
PubChem CID161273650
Molecular FormulaC187H343N17O22
Molecular Weight3181.90 g/mol
Exact Mass3179.62
IUPAC Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine
SMILESC=C1CC[C@@H](COC(C)(C)C)C1.C=C1CC[C@H](COC(C)(C)C)C1.C=C1C[C@@H](COC(C)(C)C)CN1.C=C1C[C@H](COC(C)(C)C)CN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCOC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OC[C@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)OCc1cccnc1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)CCC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/2C11H20O.C11H22O.C11H16O.2C10H18N2O.2C10H19NO2.2C10H19NO.C10H15NO.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c2*1-9-5-6-10(7-9)8-12-11(2,3)4;2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;2*1-10(2,3)13-7-8-4-5-11-9(12)6-8;2*1-8-5-9(6-11-8)7-12-10(2,3)4;1-10(2,3)12-8-9-5-4-6-11-7-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;2*1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)9-6-7-4-5-7/h2*10H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;2*8H,4-7H2,1-3H3,(H,11,12);2*9,11H,1,5-7H2,2-4H3;4-7H,8H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3/t2*10-;;;;;2*8-;2*9-;;;;;;;;;/m10....1010........./s1
InChIKeyVEDPYWQMBORSPH-DMRYOHRWSA-N
XLogP42.67
TPSA406.17 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003181.90
LogP ≤ 542.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine?
The IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine (CID 161273650) is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine.
What is the SMILES notation for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine?
The canonical SMILES for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine is C=C1CC[C@@H](COC(C)(C)C)C1.C=C1CC[C@H](COC(C)(C)C)C1.C=C1C[C@@H](COC(C)(C)C)CN1.C=C1C[C@H](COC(C)(C)C)CN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCOC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OC[C@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)OCc1cccnc1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)CCC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1.
What is the InChIKey of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine?
The InChIKey is VEDPYWQMBORSPH-DMRYOHRWSA-N. The full InChI is InChI=1S/2C11H20O.C11H22O.C11H16O.2C10H18N2O.2C10H19NO2.2C10H19NO.C10H15NO.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c2*1-9-5-6-10(7-9)8-12-11(2,3)4;2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;2*1-10(2,3)13-7-8-4-5-11-9(12)6-8;2*1-8-5-9(6-11-8)7-12-10(2,3)4;1-10(2,3)12-8-9-5-4-6-11-7-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;2*1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)9-6-7-4-5-7/h2*10H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;2*8H,4-7H2,1-3H3,(H,11,12);2*9,11H,1,5-7H2,2-4H3;4-7H,8H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3/t2*10-;;;;;2*8-;2*9-;;;;;;;;;/m10....1010........./s1.
What are the key properties of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine?
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine has a molecular weight of 3181.90 g/mol, XLogP of 42.67, 40 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(3R)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(3S)-1-methylidene-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;3-[(2-methylpropan-2-yl)oxymethyl]oxolane;(4S)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine is sourced from PubChem (CID 161273650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).