(3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane

C94H182 — CID 158100741

About (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane

(3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane (PubChem CID 158100741) has the molecular formula C94H182 and a molecular weight of 1312.49 g/mol. Its IUPAC name is (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane.

Molecular Properties

• Compound Name: (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane
• PubChem CID: 158100741
• Molecular Formula: C94H182
• Molecular Weight: 1312.49 g/mol
• Exact Mass: 1311.42
• IUPAC Name: (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane
• SMILES: CC1(C)CC(C)(C)CC(C)(C)C1.CC1C(C)(C)CCCC1(C)C.CC1C2CCC(C2)[C@H]1C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC1C(C)(C)CCC1(C)C.CCC1CC(C)(C)CC(C)(C)C1.CCC1CC2CCC1C2.C[C@@H]1C2CCC(C2)C1(C)C
• InChI: InChI=1S/2C12H24.3C11H22.C10H18.2C9H16.C9H18/c1-10(2)7-11(3,4)9-12(5,6)8-10;1-6-10-7-11(2,3)9-12(4,5)8-10;1-9-6-10(2,3)8-11(4,5)7-9;1-9-10(2,3)7-6-8-11(9,4)5;1-6-9-10(2,3)7-8-11(9,4)5;1-7-8-4-5-9(6-8)10(7,2)3;1-6-7(2)9-4-3-8(6)5-9;1-2-8-5-7-3-4-9(8)6-7;1-8-4-6-9(2,3)7-5-8/h7-9H2,1-6H3;10H,6-9H2,1-5H3;3*9H,6-8H2,1-5H3;7-9H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3/t;;;;;7-,8?,9?;6-,7?,8?,9?;;/m.....10../s1
• InChIKey: FPFLGCHFFBNQAS-WODSEKTLSA-N
• XLogP: 31.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1312.49
LogP ≤ 5	31.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane?

The IUPAC name of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane (CID 158100741) is (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane.

What is the SMILES notation for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane?

The canonical SMILES for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane is CC1(C)CC(C)(C)CC(C)(C)C1.CC1C(C)(C)CCCC1(C)C.CC1C2CCC(C2)[C@H]1C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC1C(C)(C)CCC1(C)C.CCC1CC(C)(C)CC(C)(C)C1.CCC1CC2CCC1C2.C[C@@H]1C2CCC(C2)C1(C)C.

What is the InChIKey of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane?

The InChIKey is FPFLGCHFFBNQAS-WODSEKTLSA-N. The full InChI is InChI=1S/2C12H24.3C11H22.C10H18.2C9H16.C9H18/c1-10(2)7-11(3,4)9-12(5,6)8-10;1-6-10-7-11(2,3)9-12(4,5)8-10;1-9-6-10(2,3)8-11(4,5)7-9;1-9-10(2,3)7-6-8-11(9,4)5;1-6-9-10(2,3)7-8-11(9,4)5;1-7-8-4-5-9(6-8)10(7,2)3;1-6-7(2)9-4-3-8(6)5-9;1-2-8-5-7-3-4-9(8)6-7;1-8-4-6-9(2,3)7-5-8/h7-9H2,1-6H3;10H,6-9H2,1-5H3;3*9H,6-8H2,1-5H3;7-9H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3/t;;;;;7-,8?,9?;6-,7?,8?,9?;;/m.....10../s1.

What are the key properties of (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane?

(3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane has a molecular weight of 1312.49 g/mol, XLogP of 31.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane is sourced from PubChem (CID 158100741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).