2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane

C222H378O4 — CID 158510218

About 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane

2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane (PubChem CID 158510218) has the molecular formula C222H378O4 and a molecular weight of 3111.46 g/mol. Its IUPAC name is 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane.

Molecular Properties

• Compound Name: 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane
• PubChem CID: 158510218
• Molecular Formula: C222H378O4
• Molecular Weight: 3111.46 g/mol
• Exact Mass: 3108.94
• IUPAC Name: 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane
• SMILES: CC(C)C1(C)C2CC3CC(C2)CC1C3.CC1(C)C2CC3CC(C2)CC1C3.CC1(C)CC2CC1C1CCCC21.CC1(C)CCCCC1.CC1C2CC3C4CC5CC3C1C(C5)C4C2=O.CC1C2CC3CC(C2)C(=O)C1C3.CC1C2CC3CC1C1CCCC3C1C2.CC1CC(C)C(C)(C)C1C.CC1CC2CC1C2.CC1CC2CCC1C2.CC1CCC(C)(C)C1C.CC1CCC(C)(C)C1C.CC1CCCC1(C)C.CCC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC1(C)C2CC3CC(C2)CC1C3.CCC1(C)CC2CC1C1CCCC21.CCCC1(C)C2CC3CC(C2)CC1C3.CCCOC1C2CC3C4CC5CC3C1C(C5)C4C2.CCCOC1C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C17H26O.C15H20O.C15H26.C14H22.2C14H24.C13H22O.2C13H22.2C12H20.C11H16O.C10H20.2C9H18.C8H14.2C8H16.C7H12/c1-2-3-18-17-10-7-12-11-4-9-5-14(12)16(17)15(6-9)13(11)8-10;1-6-8-5-9-10-2-7-3-11(9)14(15(8)16)12(4-7)13(6)10;1-4-14(2,3)15-8-11-5-12(9-15)7-13(6-11)10-15;1-8-9-5-10-7-13(8)12-4-2-3-11(10)14(12)6-9;1-9(2)14(3)12-5-10-4-11(7-12)8-13(14)6-10;1-3-4-14(2)12-6-10-5-11(8-12)9-13(14)7-10;1-2-3-14-13-11-5-9-4-10(7-11)8-12(13)6-9;1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-3-13(2)8-9-7-12(13)11-6-4-5-10(9)11;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-6-8-2-7-3-9(5-8)11(12)10(6)4-7;1-7-6-8(2)10(4,5)9(7)3;2*1-7-5-6-9(3,4)8(7)2;1-6-4-7-2-3-8(6)5-7;1-7-5-4-6-8(7,2)3;1-8(2)6-4-3-5-7-8;1-5-2-6-3-7(5)4-6/h9-17H,2-8H2,1H3;6-14H,2-5H2,1H3;11-13H,4-10H2,1-3H3;8-14H,2-7H2,1H3;9-13H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;9-13H,2-8H2,1H3;2*9-12H,3-8H2,1-2H3;2*8-11H,3-7H2,1-2H3;6-10H,2-5H2,1H3;7-9H,6H2,1-5H3;2*7-8H,5-6H2,1-4H3;6-8H,2-5H2,1H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;5-7H,2-4H2,1H3
• InChIKey: HKYMMZKPEPUXGD-UHFFFAOYSA-N
• XLogP: 63.12
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3111.46
LogP ≤ 5	63.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane?

The IUPAC name of 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane (CID 158510218) is 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane.

What is the SMILES notation for 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane?

The canonical SMILES for 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane is CC(C)C1(C)C2CC3CC(C2)CC1C3.CC1(C)C2CC3CC(C2)CC1C3.CC1(C)CC2CC1C1CCCC21.CC1(C)CCCCC1.CC1C2CC3C4CC5CC3C1C(C5)C4C2=O.CC1C2CC3CC(C2)C(=O)C1C3.CC1C2CC3CC1C1CCCC3C1C2.CC1CC(C)C(C)(C)C1C.CC1CC2CC1C2.CC1CC2CCC1C2.CC1CCC(C)(C)C1C.CC1CCC(C)(C)C1C.CC1CCCC1(C)C.CCC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC1(C)C2CC3CC(C2)CC1C3.CCC1(C)CC2CC1C1CCCC21.CCCC1(C)C2CC3CC(C2)CC1C3.CCCOC1C2CC3C4CC5CC3C1C(C5)C4C2.CCCOC1C2CC3CC(C2)CC1C3.

What is the InChIKey of 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane?

The InChIKey is HKYMMZKPEPUXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C15H20O.C15H26.C14H22.2C14H24.C13H22O.2C13H22.2C12H20.C11H16O.C10H20.2C9H18.C8H14.2C8H16.C7H12/c1-2-3-18-17-10-7-12-11-4-9-5-14(12)16(17)15(6-9)13(11)8-10;1-6-8-5-9-10-2-7-3-11(9)14(15(8)16)12(4-7)13(6)10;1-4-14(2,3)15-8-11-5-12(9-15)7-13(6-11)10-15;1-8-9-5-10-7-13(8)12-4-2-3-11(10)14(12)6-9;1-9(2)14(3)12-5-10-4-11(7-12)8-13(14)6-10;1-3-4-14(2)12-6-10-5-11(8-12)9-13(14)7-10;1-2-3-14-13-11-5-9-4-10(7-11)8-12(13)6-9;1-3-13(2)11-5-9-4-10(7-11)8-12(13)6-9;1-3-13(2)8-9-7-12(13)11-6-4-5-10(9)11;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-6-8-2-7-3-9(5-8)11(12)10(6)4-7;1-7-6-8(2)10(4,5)9(7)3;2*1-7-5-6-9(3,4)8(7)2;1-6-4-7-2-3-8(6)5-7;1-7-5-4-6-8(7,2)3;1-8(2)6-4-3-5-7-8;1-5-2-6-3-7(5)4-6/h9-17H,2-8H2,1H3;6-14H,2-5H2,1H3;11-13H,4-10H2,1-3H3;8-14H,2-7H2,1H3;9-13H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;9-13H,2-8H2,1H3;2*9-12H,3-8H2,1-2H3;2*8-11H,3-7H2,1-2H3;6-10H,2-5H2,1H3;7-9H,6H2,1-5H3;2*7-8H,5-6H2,1-4H3;6-8H,2-5H2,1H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;5-7H,2-4H2,1H3.

What are the key properties of 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane?

2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane has a molecular weight of 3111.46 g/mol, XLogP of 63.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyladamantane;1,1-dimethylcyclohexane;8,8-dimethyltricyclo[5.2.1.02,6]decane;2-ethyl-2-methyladamantane;8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;4-methyladamantan-2-one;2-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.1.1]hexane;1-(2-methylbutan-2-yl)adamantane;5-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-3-one;2-methyl-2-propan-2-yladamantane;2-methyl-2-propyladamantane;10-methyltetracyclo[7.3.1.02,7.06,11]tridecane;1,1,2,3,5-pentamethylcyclopentane;2-propoxyadamantane;3-propoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;bis(1,1,2,3-tetramethylcyclopentane);1,1,2-trimethylcyclopentane is sourced from PubChem (CID 158510218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).