1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane

C100H206 — CID 159579004

About 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane

1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane (PubChem CID 159579004) has the molecular formula C100H206 and a molecular weight of 1408.75 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane.

Molecular Properties

• Compound Name: 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane
• PubChem CID: 159579004
• Molecular Formula: C100H206
• Molecular Weight: 1408.75 g/mol
• Exact Mass: 1407.61
• IUPAC Name: 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane
• SMILES: CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC1(C)CC(C)(C)CC(C)(C)C1.CC1(C)CCCCC1.CC1C(C)(C)CCCC1(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC1CC(C)(C)CC(C)(C)C1.CCC1CCCCC1
• InChI: InChI=1S/2C12H24.2C11H22.C11H24.C10H22.C9H18.2C8H16.C8H18/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;1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-8-4-6-9(2,3)7-5-8;1-8(2)6-4-3-5-7-8;1-2-8-6-4-3-5-7-8;1-7(2,3)8(4,5)6/h7-9H2,1-6H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;1-8H3;8H,1-7H3;8H,4-7H2,1-3H3;3-7H2,1-2H3;8H,2-7H2,1H3;1-6H3
• InChIKey: MITQRMQULRIZFO-UHFFFAOYSA-N
• XLogP: 36.29
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1408.75
LogP ≤ 5	36.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane?

The IUPAC name of 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane (CID 159579004) is 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane.

What is the SMILES notation for 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane?

The canonical SMILES for 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane is CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC1(C)CC(C)(C)CC(C)(C)C1.CC1(C)CCCCC1.CC1C(C)(C)CCCC1(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC1CC(C)(C)CC(C)(C)C1.CCC1CCCCC1.

What is the InChIKey of 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane?

The InChIKey is MITQRMQULRIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.2C11H22.C11H24.C10H22.C9H18.2C8H16.C8H18/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;1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-8-4-6-9(2,3)7-5-8;1-8(2)6-4-3-5-7-8;1-2-8-6-4-3-5-7-8;1-7(2,3)8(4,5)6/h7-9H2,1-6H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;1-8H3;8H,1-7H3;8H,4-7H2,1-3H3;3-7H2,1-2H3;8H,2-7H2,1H3;1-6H3.

What are the key properties of 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane?

1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane has a molecular weight of 1408.75 g/mol, XLogP of 36.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylcyclohexane;ethylcyclohexane;5-ethyl-1,1,3,3-tetramethylcyclohexane;1,1,3,3,5,5-hexamethylcyclohexane;2,2,3,3,4,4-hexamethylpentane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;1,1,4-trimethylcyclohexane is sourced from PubChem (CID 159579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).