1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane

C312H574ClF7N8O2 — CID 159435609

IUPAC1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane
SMILESCC(C)C(C(C)C)C(C)C.CC(C)C(C)(C)C1CC1.CC(C)C(C)CN.CC(C)C1(C)CC1.CC(C)C1C(C)CCCC1C.CC(C)C1CCC1(C)C.CC(C)C1CCC12CCC2.CC(C)C1CCC12CCCC2.CC(C)C1CCCCC1.CC(C)C1CCCCC1(C)C.CC(C)C1CCCCC1C.CC(C)C1CCCCC1C(C)C.CC(C)C1CCN(C)CC1.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C(F)(F)F.CC(C)CC(C)C.CC(C)CC1(C(F)(F)F)CC1.CC(C)CC1(C)CC1.CC(C)CC1CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)(C)F.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1Cl.CCC(CC)C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H17F.C12H24.C12H18.C11H20.C11H16.2C11H22.2C11H16.C10H14O.C10H18.C10H20.C10H14.C10H22.C9H11Cl.C9H19N.2C9H13N.3C9H18.C8H13F3.C8H15F3.C8H18N2.2C8H17N.C8H16.2C8H18.2C7H14.C7H16.C6H15N.C6H14O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)10-5-8-11(10)6-3-4-7-11;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10-7-5-6-8-11(10,3)4;2*1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-7-10(9)5-3-6-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)10(8(3)4)9(5)6;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-5-6-9(8,3)4;1-7(2)9(3,4)8-5-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7(3-4-7)8(9,10)11;1-6(2)5-7(3,4)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8(3)4-5-8;1-7(2)6-8(3,4)5;1-5-8(6-2)7(3)4;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-6(2)5-7(3)4;1-5(2)6(3)4-7;1-5(2)7-6(3)4/h5-9H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;9-10H,3-8H2,1-2H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8-9H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;7-10H,1-6H3;3-7H,1-2H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;2*7-8H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4,7H2,1-3H3;5-6H,1-4H3
InChIKeyLRNRJTLOAQLXFQ-UHFFFAOYSA-N
MW4638.52 g/mol
LogP100.54
Rot. Bonds51

About 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane

1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane (PubChem CID 159435609) has the molecular formula C312H574ClF7N8O2 and a molecular weight of 4638.52 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane
PubChem CID159435609
Molecular FormulaC312H574ClF7N8O2
Molecular Weight4638.52 g/mol
Exact Mass4634.46
IUPAC Name1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane
SMILESCC(C)C(C(C)C)C(C)C.CC(C)C(C)(C)C1CC1.CC(C)C(C)CN.CC(C)C1(C)CC1.CC(C)C1C(C)CCCC1C.CC(C)C1CCC1(C)C.CC(C)C1CCC12CCC2.CC(C)C1CCC12CCCC2.CC(C)C1CCCCC1.CC(C)C1CCCCC1(C)C.CC(C)C1CCCCC1C.CC(C)C1CCCCC1C(C)C.CC(C)C1CCN(C)CC1.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C(F)(F)F.CC(C)CC(C)C.CC(C)CC1(C(F)(F)F)CC1.CC(C)CC1(C)CC1.CC(C)CC1CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)(C)F.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1Cl.CCC(CC)C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H17F.C12H24.C12H18.C11H20.C11H16.2C11H22.2C11H16.C10H14O.C10H18.C10H20.C10H14.C10H22.C9H11Cl.C9H19N.2C9H13N.3C9H18.C8H13F3.C8H15F3.C8H18N2.2C8H17N.C8H16.2C8H18.2C7H14.C7H16.C6H15N.C6H14O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)10-5-8-11(10)6-3-4-7-11;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10-7-5-6-8-11(10,3)4;2*1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-7-10(9)5-3-6-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)10(8(3)4)9(5)6;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-5-6-9(8,3)4;1-7(2)9(3,4)8-5-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7(3-4-7)8(9,10)11;1-6(2)5-7(3,4)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8(3)4-5-8;1-7(2)6-8(3,4)5;1-5-8(6-2)7(3)4;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-6(2)5-7(3)4;1-5(2)6(3)4-7;1-5(2)7-6(3)4/h5-9H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;9-10H,3-8H2,1-2H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8-9H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;7-10H,1-6H3;3-7H,1-2H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;2*7-8H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4,7H2,1-3H3;5-6H,1-4H3
InChIKeyLRNRJTLOAQLXFQ-UHFFFAOYSA-N
XLogP100.54
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds51
Heavy Atoms330
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004638.52
LogP ≤ 5100.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane with MolForge

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What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane (CID 159435609) is 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane is CC(C)C(C(C)C)C(C)C.CC(C)C(C)(C)C1CC1.CC(C)C(C)CN.CC(C)C1(C)CC1.CC(C)C1C(C)CCCC1C.CC(C)C1CCC1(C)C.CC(C)C1CCC12CCC2.CC(C)C1CCC12CCCC2.CC(C)C1CCCCC1.CC(C)C1CCCCC1(C)C.CC(C)C1CCCCC1C.CC(C)C1CCCCC1C(C)C.CC(C)C1CCN(C)CC1.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C(F)(F)F.CC(C)CC(C)C.CC(C)CC1(C(F)(F)F)CC1.CC(C)CC1(C)CC1.CC(C)CC1CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)(C)F.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1Cl.CCC(CC)C(C)C.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane?
The InChIKey is LRNRJTLOAQLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C12H24.C12H18.C11H20.C11H16.2C11H22.2C11H16.C10H14O.C10H18.C10H20.C10H14.C10H22.C9H11Cl.C9H19N.2C9H13N.3C9H18.C8H13F3.C8H15F3.C8H18N2.2C8H17N.C8H16.2C8H18.2C7H14.C7H16.C6H15N.C6H14O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)10-5-8-11(10)6-3-4-7-11;1-8(2)11-7-9(3)5-6-10(11)4;1-9(2)10-7-5-6-8-11(10,3)4;2*1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-7-10(9)5-3-6-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)10(8(3)4)9(5)6;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-5-6-9(8,3)4;1-7(2)9(3,4)8-5-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7(3-4-7)8(9,10)11;1-6(2)5-7(3,4)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)6-8(3)4-5-8;1-7(2)6-8(3,4)5;1-5-8(6-2)7(3)4;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-6(2)5-7(3)4;1-5(2)6(3)4-7;1-5(2)7-6(3)4/h5-9H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;9-10H,3-8H2,1-2H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-3H3;8-9H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;7-10H,1-6H3;3-7H,1-2H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;2*7-8H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4,7H2,1-3H3;5-6H,1-4H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane?
1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane has a molecular weight of 4638.52 g/mol, XLogP of 100.54, 51 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;2,3-dimethylbutan-1-amine;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentane;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,1-dimethyl-2-propan-2-ylcyclobutane;1,1-dimethyl-2-propan-2-ylcyclohexane;1,3-dimethyl-2-propan-2-ylcyclohexane;2,4-dimethyl-3-propan-2-ylpentane;1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;3-ethyl-2-methylpentane;1-ethyl-2-propan-2-ylbenzene;1-(2-fluoropropan-2-yl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylpropylcyclopropane;1-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane;propan-2-ylcyclohexane;2-propan-2-yloxypropane;bis(1-propan-2-ylpiperidine);3-propan-2-ylspiro[3.3]heptane;3-propan-2-ylspiro[3.4]octane;1,1,1-trifluoro-2,2,4-trimethylpentane;2,2,4-trimethylpentane is sourced from PubChem (CID 159435609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).