1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane

C265H483Cl3FN15O4 — CID 157377923

IUPAC1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2(C)CCC(C2)C1(C)C.CC(C)C1C2CCC1CC2.CC(C)C1CC2CCC1C2.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCN1CC2.CC(C)C1CCC2CC1C2(C)C.CC(C)C1CCCCC1.CC(C)C1CCCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)CC1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC1CO2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1C(C)C.CCN1CCCCC1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H22.C13H24.C12H22.C11H20.2C10H19N.2C10H21N.C10H14O.2C10H18.C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H17NO.C9H17N.4C9H19N.C9H18.C9H12.C8H18N2.C8H17N.C7H15NO.C7H15N.C7H14O/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-12(3,4)10-6-7-13(11,5)8-10;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)10-7-9-3-5-11(10)6-4-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-5-7-10(9)3;1-9(2)10-7-5-3-4-6-8-10;1-4-10-7-5-6-9(10)8(2)3;2*1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h9-12H,3-8H2,1-2H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;8-11H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;2*9-10H,4-8H2,1-3H3;4-8H,1-3H3;2*7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBKNJYTPYDKJKJP-UHFFFAOYSA-N
MW4069.24 g/mol
LogP71.30
Rot. Bonds32

About 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane

1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane (PubChem CID 157377923) has the molecular formula C265H483Cl3FN15O4 and a molecular weight of 4069.24 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
PubChem CID157377923
Molecular FormulaC265H483Cl3FN15O4
Molecular Weight4069.24 g/mol
Exact Mass4064.71
IUPAC Name1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2(C)CCC(C2)C1(C)C.CC(C)C1C2CCC1CC2.CC(C)C1CC2CCC1C2.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCN1CC2.CC(C)C1CCC2CC1C2(C)C.CC(C)C1CCCCC1.CC(C)C1CCCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)CC1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC1CO2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1C(C)C.CCN1CCCCC1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H22.C13H24.C12H22.C11H20.2C10H19N.2C10H21N.C10H14O.2C10H18.C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H17NO.C9H17N.4C9H19N.C9H18.C9H12.C8H18N2.C8H17N.C7H15NO.C7H15N.C7H14O/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-12(3,4)10-6-7-13(11,5)8-10;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)10-7-9-3-5-11(10)6-4-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-5-7-10(9)3;1-9(2)10-7-5-3-4-6-8-10;1-4-10-7-5-6-9(10)8(2)3;2*1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h9-12H,3-8H2,1-2H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;8-11H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;2*9-10H,4-8H2,1-3H3;4-8H,1-3H3;2*7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBKNJYTPYDKJKJP-UHFFFAOYSA-N
XLogP71.30
TPSA85.52 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004069.24
LogP ≤ 571.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane (CID 157377923) is 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane is CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2(C)CCC(C2)C1(C)C.CC(C)C1C2CCC1CC2.CC(C)C1CC2CCC1C2.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCN1CC2.CC(C)C1CCC2CC1C2(C)C.CC(C)C1CCCCC1.CC(C)C1CCCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)CC1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC1CO2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1C(C)C.CCN1CCCCC1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The InChIKey is BKNJYTPYDKJKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.C13H24.C12H22.C11H20.2C10H19N.2C10H21N.C10H14O.2C10H18.C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H17NO.C9H17N.4C9H19N.C9H18.C9H12.C8H18N2.C8H17N.C7H15NO.C7H15N.C7H14O/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-12(3,4)10-6-7-13(11,5)8-10;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)10-7-9-3-5-11(10)6-4-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-5-7-10(9)3;1-9(2)10-7-5-3-4-6-8-10;1-4-10-7-5-6-9(10)8(2)3;2*1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h9-12H,3-8H2,1-2H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;8-11H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;2*9-10H,4-8H2,1-3H3;4-8H,1-3H3;2*7-10H,3-6H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane has a molecular weight of 4069.24 g/mol, XLogP of 71.30, 32 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-ethyl-2-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-ethyl-2-propan-2-ylpyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;1-propan-2-ylazepane;2-propan-2-ylbicyclo[2.2.1]heptane;7-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[2.2.2]octane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-propan-2-yloxolane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1,3,3-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 157377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).