1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine

C242H375ClF2N14O14 — CID 158595641

IUPAC1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
SMILESCC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)CCOc1ccc(C(C)C)cn1.CC(C)CCOc1cccc(C(C)C)n1.CC(C)CNc1cccc(C(C)C)n1.CC(C)OCc1cccc(C(C)C)n1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)n1.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(COC(C)(C)C)n1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1ccncc1.CCC(CC)Cc1ccc(C(C)C)nc1.CCC(CC)Oc1cccc(C(C)C)n1.CCC(CC)c1cccc(C(C)C)n1.CCOc1ccc(C(C)C)c(C)c1.COc1cc(C)c(C(C)C)cc1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO.C14H23N.6C13H21NO.C13H21N.C12H17ClO.C12H17FO.C12H20N2.C12H19NO.2C12H18O.C11H17NO.C11H16O.C11H16.C10H13F.C8H11N/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-5-12(6-2)9-13-7-8-14(11(3)4)15-10-13;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)12-8-6-7-11(14-12)9-15-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)7-8-15-13-6-5-12(9-14-13)11(3)4;1-10(2)8-9-15-13-7-5-6-12(14-13)11(3)4;1-5-11(6-2)15-13-9-7-8-12(14-13)10(3)4;1-5-11(6-2)13-9-7-8-12(14-13)10(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)8-13-12-7-5-6-11(14-12)10(3)4;1-9(2)12-7-5-6-11(13-12)8-14-10(3)4;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-5-13-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9-6-4-8/h6-8,10-12H,9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;7-11H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;2*5-9H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,13,14);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyHUZNZJDCUDHYFT-UHFFFAOYSA-N
MW3778.19 g/mol
LogP70.47
Rot. Bonds66

About 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine

1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine (PubChem CID 158595641) has the molecular formula C242H375ClF2N14O14 and a molecular weight of 3778.19 g/mol. Its IUPAC name is 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
PubChem CID158595641
Molecular FormulaC242H375ClF2N14O14
Molecular Weight3778.19 g/mol
Exact Mass3774.87
IUPAC Name1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
SMILESCC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)CCOc1ccc(C(C)C)cn1.CC(C)CCOc1cccc(C(C)C)n1.CC(C)CNc1cccc(C(C)C)n1.CC(C)OCc1cccc(C(C)C)n1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)n1.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(COC(C)(C)C)n1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1ccncc1.CCC(CC)Cc1ccc(C(C)C)nc1.CCC(CC)Oc1cccc(C(C)C)n1.CCC(CC)c1cccc(C(C)C)n1.CCOc1ccc(C(C)C)c(C)c1.COc1cc(C)c(C(C)C)cc1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO.C14H23N.6C13H21NO.C13H21N.C12H17ClO.C12H17FO.C12H20N2.C12H19NO.2C12H18O.C11H17NO.C11H16O.C11H16.C10H13F.C8H11N/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-5-12(6-2)9-13-7-8-14(11(3)4)15-10-13;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)12-8-6-7-11(14-12)9-15-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)7-8-15-13-6-5-12(9-14-13)11(3)4;1-10(2)8-9-15-13-7-5-6-12(14-13)11(3)4;1-5-11(6-2)15-13-9-7-8-12(14-13)10(3)4;1-5-11(6-2)13-9-7-8-12(14-13)10(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)8-13-12-7-5-6-11(14-12)10(3)4;1-9(2)12-7-5-6-11(13-12)8-14-10(3)4;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-5-13-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9-6-4-8/h6-8,10-12H,9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;7-11H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;2*5-9H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,13,14);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyHUZNZJDCUDHYFT-UHFFFAOYSA-N
XLogP70.47
TPSA308.82 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds66
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003778.19
LogP ≤ 570.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine?
The IUPAC name of 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine (CID 158595641) is 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine?
The canonical SMILES for 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine is CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)CCOc1ccc(C(C)C)cn1.CC(C)CCOc1cccc(C(C)C)n1.CC(C)CNc1cccc(C(C)C)n1.CC(C)OCc1cccc(C(C)C)n1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)n1.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(COC(C)(C)C)n1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1ccncc1.CCC(CC)Cc1ccc(C(C)C)nc1.CCC(CC)Oc1cccc(C(C)C)n1.CCC(CC)c1cccc(C(C)C)n1.CCOc1ccc(C(C)C)c(C)c1.COc1cc(C)c(C(C)C)cc1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine?
The InChIKey is HUZNZJDCUDHYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C14H23N.6C13H21NO.C13H21N.C12H17ClO.C12H17FO.C12H20N2.C12H19NO.2C12H18O.C11H17NO.C11H16O.C11H16.C10H13F.C8H11N/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-5-12(6-2)9-13-7-8-14(11(3)4)15-10-13;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)12-8-6-7-11(14-12)9-15-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)7-8-15-13-6-5-12(9-14-13)11(3)4;1-10(2)8-9-15-13-7-5-6-12(14-13)11(3)4;1-5-11(6-2)15-13-9-7-8-12(14-13)10(3)4;1-5-11(6-2)13-9-7-8-12(14-13)10(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)8-13-12-7-5-6-11(14-12)10(3)4;1-9(2)12-7-5-6-11(13-12)8-14-10(3)4;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-5-13-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-8(2)11-7-10(12-4)6-5-9(11)3;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9-6-4-8/h6-8,10-12H,9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;7-11H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;2*5-9H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,13,14);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine?
1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine has a molecular weight of 3778.19 g/mol, XLogP of 70.47, 66 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158595641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).