2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane

C204H281BF4N14O12 — CID 157365846

IUPAC2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
SMILESC#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)CCc1ccco1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.CCc1ccc(C(C)C)cc1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C13H14N2.2C13H19NO.C12H16.C12H24.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C11H16.2C11H12.C10H11NO.C10H12O2.C9H13BO2.C9H16N2.C9H14O.C7H10N2.C6H10N2.C4H7F3/c1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,11-12H,1-2H3;5,7H,6H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;9-8-;;;;;;;;;;;;;;;
InChIKeyBJEBEGDVXWIDIA-BKJFIXHASA-N
MW3208.38 g/mol
LogP53.88
Rot. Bonds39

About 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane

2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane (PubChem CID 157365846) has the molecular formula C204H281BF4N14O12 and a molecular weight of 3208.38 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
PubChem CID157365846
Molecular FormulaC204H281BF4N14O12
Molecular Weight3208.38 g/mol
Exact Mass3206.18
IUPAC Name2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
SMILESC#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)CCc1ccco1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.CCc1ccc(C(C)C)cc1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C13H14N2.2C13H19NO.C12H16.C12H24.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C11H16.2C11H12.C10H11NO.C10H12O2.C9H13BO2.C9H16N2.C9H14O.C7H10N2.C6H10N2.C4H7F3/c1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,11-12H,1-2H3;5,7H,6H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;9-8-;;;;;;;;;;;;;;;
InChIKeyBJEBEGDVXWIDIA-BKJFIXHASA-N
XLogP53.88
TPSA317.21 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003208.38
LogP ≤ 553.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane with MolForge

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Launch Full Analysis

Related Compounds

3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 158500553
1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
CID 158730412
2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride
CID 160895372

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane (CID 157365846) is 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane is C#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)CCc1ccco1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1cccc2c1OCCO2.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCOCC1.CC(C)c1ccn[nH]1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2n1CF.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.CCc1ccc(C(C)C)cc1.COc1ccc(OC)c(C(C)C)c1.Cc1cc(C)n(CC(C)C)n1.
What is the InChIKey of 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane?
The InChIKey is BJEBEGDVXWIDIA-BKJFIXHASA-N. The full InChI is InChI=1S/C13H14N2.2C13H19NO.C12H16.C12H24.C11H13FN2.C11H13N.C11H14O2.C11H16O2.C11H16.2C11H12.C10H11NO.C10H12O2.C9H13BO2.C9H16N2.C9H14O.C7H10N2.C6H10N2.C4H7F3/c1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-8(2)11-13-9-5-3-4-6-10(9)14(11)7-12;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-7-9(12-3)5-6-11(10)13-4;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)6-11-9(4)5-8(3)10-11;1-8(2)5-6-9-4-3-7-10-9;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-4-7-8-6;1-3(2)4(5,6)7/h3-10H,1-2H3;3-6,11H,7-10H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,11-12H,1-2H3;5,7H,6H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3H,1-2H3/b;;;;9-8-;;;;;;;;;;;;;;;.
What are the key properties of 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane?
2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3208.38 g/mol, XLogP of 53.88, 39 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 157365846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).