(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane

C70H138 — CID 167712089

About (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane

(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane (PubChem CID 167712089) has the molecular formula C70H138 and a molecular weight of 979.87 g/mol. Its IUPAC name is (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane.

Molecular Properties

• Compound Name: (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
• PubChem CID: 167712089
• Molecular Formula: C70H138
• Molecular Weight: 979.87 g/mol
• Exact Mass: 979.08
• IUPAC Name: (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
• SMILES: CC1(C)CC(C)(C)CC(C)(C)C1.CC1C(C)(C)CCCC1(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CC1CCCC(C)C1C.C[C@@H]1CCCCC1(C)C.C[C@H]1CC2CCC1(C)C2
• InChI: InChI=1S/C12H24.2C11H22.C9H16.3C9H18/c1-10(2)7-11(3,4)9-12(5,6)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;1-7-5-8-3-4-9(7,2)6-8;1-8-4-6-9(2,3)7-5-8;1-8-6-4-5-7-9(8,2)3;1-7-5-4-6-8(2)9(7)3/h7-9H2,1-6H3;2*9H,6-8H2,1-5H3;7-8H,3-6H2,1-2H3;2*8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3/t;;;7-,8?,9?;;8-;/m...0.1./s1
• InChIKey: ZZMMOSZVVNBHHC-CRBZBUMYSA-N
• XLogP: 24.32
• TPSA: 0.00 Ų
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.87
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane (CID 167712089) is (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane.

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

The canonical SMILES for (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane is CC1(C)CC(C)(C)CC(C)(C)C1.CC1C(C)(C)CCCC1(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CC1CCCC(C)C1C.C[C@@H]1CCCCC1(C)C.C[C@H]1CC2CCC1(C)C2.

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

The InChIKey is ZZMMOSZVVNBHHC-CRBZBUMYSA-N. The full InChI is InChI=1S/C12H24.2C11H22.C9H16.3C9H18/c1-10(2)7-11(3,4)9-12(5,6)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;1-7-5-8-3-4-9(7,2)6-8;1-8-4-6-9(2,3)7-5-8;1-8-6-4-5-7-9(8,2)3;1-7-5-4-6-8(2)9(7)3/h7-9H2,1-6H3;2*9H,6-8H2,1-5H3;7-8H,3-6H2,1-2H3;2*8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3/t;;;7-,8?,9?;;8-;/m...0.1./s1.

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

(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane has a molecular weight of 979.87 g/mol, XLogP of 24.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane is sourced from PubChem (CID 167712089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).