Question 1

What is the IUPAC name of 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane?

Accepted Answer

The IUPAC name of 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane (CID 157232063) is 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane.

Question 2

What is the SMILES notation for 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane?

Accepted Answer

The canonical SMILES for 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane is CC(C)(C)C1(C)CCC1.CC(C)(C)C1(C)CCCC1.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)CC1(C)CC1.CC(C)CC1(C)CC1.CC(C)CC1(C)CCC1.CC(C)CC1(C)CCCC1.CC1(C)CC1.CC1(C)CC1.CC1(C)CCC1.CC1(C)CCC1.CC1(C)CCCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC12CC3CC(CC(C3)C1)C2.CC1CC1.CC1CC2C3CCC(C3)C12.CC1CC2CC1C1C3CCC(C3)C21.CC1CC2CCC1C1C3CCC(CC3)C21.CC1CC2CCC1C2.CC1CC2CCC1C2(C)C.CC1CC2CCC1CC2.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.CC1CCCCCCC1.CCC1(C)CC1.CCC1(C)CCC1.CCC1(C)CCCC1.CCC1(C)CCCCC1.CCCC1(C)CC1.CCCC1(C)CCC1.CCCC1(C)CCCC1.CCCCC1(C)CC1.CCCCC1(C)CCC1.CCCCC1(C)CCCC1.

Question 3

What is the InChIKey of 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane?

Accepted Answer

The InChIKey is AUFIEWFNNVXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C13H20.C11H18.C10H16.C10H18.3C10H20.C9H16.7C9H18.C8H14.8C8H16.6C7H14.4C6H12.3C5H10.C4H8/c1-9-8-12-6-7-13(9)15-11-4-2-10(3-5-11)14(12)15;1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-6-4-9-7-2-3-8(5-7)10(6)9;1-7-6-8-4-5-9(7)10(8,2)3;1-9(2,3)10(4)7-5-6-8-10;1-9(2)8-10(3)6-4-5-7-10;1-3-4-7-10(2)8-5-6-9-10;1-7-6-8-2-4-9(7)5-3-8;1-8(2,3)9(4)6-5-7-9;1-8(2)7-9(3)5-4-6-9;1-8(2)9(3)6-4-5-7-9;1-9-7-5-3-2-4-6-8-9;1-3-9(2)7-5-4-6-8-9;1-3-6-9(2)7-4-5-8-9;1-3-4-6-9(2)7-5-8-9;1-6-4-7-2-3-8(6)5-7;2*1-7(2)6-8(3)4-5-8;1-7(2)8(3)5-4-6-8;1-8(2)6-4-3-5-7-8;1-8-6-4-2-3-5-7-8;1-3-8(2)6-4-5-7-8;1-3-5-8(2)6-4-7-8;1-3-4-5-8(2)6-7-8;1-6(2)7(3)4-5-7;2*1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7;1-3-7(2)5-4-6-7;1-3-4-7(2)5-6-7;2*1-6(2)4-3-5-6;1-6-4-2-3-5-6;1-3-6(2)4-5-6;2*1-5(2)3-4-5;1-5-3-2-4-5;1-4-2-3-4/h9-15H,2-8H2,1H3;7-13H,2-6H2,1H3;8-10H,2-7H2,1H3;6-10H,2-5H2,1H3;7-9H,4-6H2,1-3H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;3-9H2,1-2H3;7-9H,2-6H2,1H3;5-7H2,1-4H3;2*8H,4-7H2,1-3H3;9H,2-8H2,1H3;3*3-8H2,1-2H3;6-8H,2-5H2,1H3;3*7H,4-6H2,1-3H3;3-7H2,1-2H3;8H,2-7H2,1H3;3*3-7H2,1-2H3;6H,4-5H2,1-3H3;2*3-6H2,1-2H3;7H,2-6H2,1H3;2*3-6H2,1-2H3;2*3-5H2,1-2H3;6H,2-5H2,1H3;3-5H2,1-2H3;2*3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3.

Question 4

What are the key properties of 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane?

Accepted Answer

1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 4434.38 g/mol, XLogP of 110.19, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 157232063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane
PubChem CID	157232063
Molecular Formula	C318H610
Molecular Weight	4434.38 g/mol
Exact Mass	4430.77
IUPAC Name	1-butyl-1-methylcyclobutane;1-tert-butyl-1-methylcyclobutane;1-butyl-1-methylcyclopentane;1-tert-butyl-1-methylcyclopentane;1-butyl-1-methylcyclopropane;bis(1,1-dimethylcyclobutane);1,1-dimethylcyclohexane;bis(1,1-dimethylcyclopentane);bis(1,1-dimethylcyclopropane);1-ethyl-1-methylcyclobutane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-ethyl-1-methylcyclopropane;1-methyladamantane;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.2]octane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclooctane;methylcyclopentane;methylcyclopropane;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopentane;bis(1-methyl-1-(2-methylpropyl)cyclopropane);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;1-methyl-1-propylcyclobutane;1-methyl-1-propylcyclopentane;1-methyl-1-propylcyclopropane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;4-methyltetracyclo[6.2.2.23,6.02,7]tetradecane;3-methyltricyclo[4.2.1.02,5]nonane;2,7,7-trimethylbicyclo[2.2.1]heptane
SMILES	CC(C)(C)C1(C)CCC1.CC(C)(C)C1(C)CCCC1.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)CC1(C)CC1.CC(C)CC1(C)CC1.CC(C)CC1(C)CCC1.CC(C)CC1(C)CCCC1.CC1(C)CC1.CC1(C)CC1.CC1(C)CCC1.CC1(C)CCC1.CC1(C)CCCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC12CC3CC(CC(C3)C1)C2.CC1CC1.CC1CC2C3CCC(C3)C12.CC1CC2CC1C1C3CCC(C3)C21.CC1CC2CCC1C1C3CCC(CC3)C21.CC1CC2CCC1C2.CC1CC2CCC1C2(C)C.CC1CC2CCC1CC2.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.CC1CCCCCCC1.CCC1(C)CC1.CCC1(C)CCC1.CCC1(C)CCCC1.CCC1(C)CCCCC1.CCCC1(C)CC1.CCCC1(C)CCC1.CCCC1(C)CCCC1.CCCCC1(C)CC1.CCCCC1(C)CCC1.CCCCC1(C)CCCC1
InChI	InChI=1S/C15H24.C13H20.C11H18.C10H16.C10H18.3C10H20.C9H16.7C9H18.C8H14.8C8H16.6C7H14.4C6H12.3C5H10.C4H8/c1-9-8-12-6-7-13(9)15-11-4-2-10(3-5-11)14(12)15;1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-6-4-9-7-2-3-8(5-7)10(6)9;1-7-6-8-4-5-9(7)10(8,2)3;1-9(2,3)10(4)7-5-6-8-10;1-9(2)8-10(3)6-4-5-7-10;1-3-4-7-10(2)8-5-6-9-10;1-7-6-8-2-4-9(7)5-3-8;1-8(2,3)9(4)6-5-7-9;1-8(2)7-9(3)5-4-6-9;1-8(2)9(3)6-4-5-7-9;1-9-7-5-3-2-4-6-8-9;1-3-9(2)7-5-4-6-8-9;1-3-6-9(2)7-4-5-8-9;1-3-4-6-9(2)7-5-8-9;1-6-4-7-2-3-8(6)5-7;21-7(2)6-8(3)4-5-8;1-7(2)8(3)5-4-6-8;1-8(2)6-4-3-5-7-8;1-8-6-4-2-3-5-7-8;1-3-8(2)6-4-5-7-8;1-3-5-8(2)6-4-7-8;1-3-4-5-8(2)6-7-8;1-6(2)7(3)4-5-7;21-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7;1-3-7(2)5-4-6-7;1-3-4-7(2)5-6-7;21-6(2)4-3-5-6;1-6-4-2-3-5-6;1-3-6(2)4-5-6;21-5(2)3-4-5;1-5-3-2-4-5;1-4-2-3-4/h9-15H,2-8H2,1H3;7-13H,2-6H2,1H3;8-10H,2-7H2,1H3;6-10H,2-5H2,1H3;7-9H,4-6H2,1-3H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;3-9H2,1-2H3;7-9H,2-6H2,1H3;5-7H2,1-4H3;28H,4-7H2,1-3H3;9H,2-8H2,1H3;33-8H2,1-2H3;6-8H,2-5H2,1H3;37H,4-6H2,1-3H3;3-7H2,1-2H3;8H,2-7H2,1H3;33-7H2,1-2H3;6H,4-5H2,1-3H3;23-6H2,1-2H3;7H,2-6H2,1H3;23-6H2,1-2H3;23-5H2,1-2H3;6H,2-5H2,1H3;3-5H2,1-2H3;23-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKey	AUFIEWFNNVXIQL-UHFFFAOYSA-N
XLogP	110.19
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	30
Heavy Atoms	318
Complexity	—

Rule	Value
MW ≤ 500	4434.38
LogP ≤ 5	110.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions