1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane

C94H170 — CID 163420245

About 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane

1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane (PubChem CID 163420245) has the molecular formula C94H170 and a molecular weight of 1300.39 g/mol. Its IUPAC name is 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane.

Molecular Properties

• Compound Name: 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
• PubChem CID: 163420245
• Molecular Formula: C94H170
• Molecular Weight: 1300.39 g/mol
• Exact Mass: 1299.33
• IUPAC Name: 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
• SMILES: CC1C2CCC(CC2)C1(C)C.CC1C2CCC(CC2)C1C.CC1CC2CCC1(C)CC2.CC1CC2CCC1CC2.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C16H30.C14H26.C12H20.C12H22.C11H20.2C10H18.C9H16/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-8-9-4-6-10(7-5-9)11(8,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-6-8-2-4-9(7)5-3-8/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3
• InChIKey: AHVUCGXSGZRJGQ-UHFFFAOYSA-N
• XLogP: 30.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1300.39
LogP ≤ 5	30.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?

The IUPAC name of 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane (CID 163420245) is 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane.

What is the SMILES notation for 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?

The canonical SMILES for 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane is CC1C2CCC(CC2)C1(C)C.CC1C2CCC(CC2)C1C.CC1CC2CCC1(C)CC2.CC1CC2CCC1CC2.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?

The InChIKey is AHVUCGXSGZRJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C14H26.C12H20.C12H22.C11H20.2C10H18.C9H16/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-8-9-4-6-10(7-5-9)11(8,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-6-8-2-4-9(7)5-3-8/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3.

What are the key properties of 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?

1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane has a molecular weight of 1300.39 g/mol, XLogP of 30.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane is sourced from PubChem (CID 163420245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).