2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane

C78H164 — CID 158361454

About 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane

2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane (PubChem CID 158361454) has the molecular formula C78H164 and a molecular weight of 1102.17 g/mol. Its IUPAC name is 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane.

Molecular Properties

• Compound Name: 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane
• PubChem CID: 158361454
• Molecular Formula: C78H164
• Molecular Weight: 1102.17 g/mol
• Exact Mass: 1101.28
• IUPAC Name: 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane
• SMILES: CC1C(C)(C)CCC1(C)C.CC1CC(C)C(C)C1.CC1CCC(C)C1C.CC1CCCCC1.CC1CCC[C@H]1C.CCC(C)(C)C.CCC(C)CC.CCCC(C)C.CCCC(C)C.CCCC1CC1.C[C@@H]1CCCC1(C)C
• InChI: InChI=1S/C10H20.3C8H16.2C7H14.C6H12.4C6H14/c1-8-9(2,3)6-7-10(8,4)5;1-6-4-7(2)8(3)5-6;1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;1-2-3-6-4-5-6;1-5-6(2,3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h8H,6-7H2,1-5H3;6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3;5H2,1-4H3;3*6H,4-5H2,1-3H3/t;;7-;;6-,7?;;;;;;/m..1.1....../s1
• InChIKey: GTNBPWNQIQSKPX-WAKQJLTNSA-N
• XLogP: 28.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.17
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane?

The IUPAC name of 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane (CID 158361454) is 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane.

What is the SMILES notation for 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane?

The canonical SMILES for 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane is CC1C(C)(C)CCC1(C)C.CC1CC(C)C(C)C1.CC1CCC(C)C1C.CC1CCCCC1.CC1CCC[C@H]1C.CCC(C)(C)C.CCC(C)CC.CCCC(C)C.CCCC(C)C.CCCC1CC1.C[C@@H]1CCCC1(C)C.

What is the InChIKey of 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane?

The InChIKey is GTNBPWNQIQSKPX-WAKQJLTNSA-N. The full InChI is InChI=1S/C10H20.3C8H16.2C7H14.C6H12.4C6H14/c1-8-9(2,3)6-7-10(8,4)5;1-6-4-7(2)8(3)5-6;1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;1-2-3-6-4-5-6;1-5-6(2,3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h8H,6-7H2,1-5H3;6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3;5H2,1-4H3;3*6H,4-5H2,1-3H3/t;;7-;;6-,7?;;;;;;/m..1.1....../s1.

What are the key properties of 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane?

2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane has a molecular weight of 1102.17 g/mol, XLogP of 28.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane is sourced from PubChem (CID 158361454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).