butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane

C72H164 — CID 162094809

About butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane

butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane (PubChem CID 162094809) has the molecular formula C72H164 and a molecular weight of 1030.10 g/mol. Its IUPAC name is butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane.

Molecular Properties

• Compound Name: butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane
• PubChem CID: 162094809
• Molecular Formula: C72H164
• Molecular Weight: 1030.10 g/mol
• Exact Mass: 1029.28
• IUPAC Name: butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane
• SMILES: CC.CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC.CCC(C)(C)C.CCC(C)(C)CC.CCC(C)C.CCC(C)CC.CCCC
• InChI: InChI=1S/C11H22.C9H18.C8H18.2C7H16.2C6H14.C5H12.2C4H10.C3H8.C2H6/c1-9-6-10(2,3)8-11(4,5)7-9;1-8-4-6-9(2,3)7-5-8;1-6(2)8(5)7(3)4;1-6(2)7(3,4)5;1-5-7(3,4)6-2;1-5-6(2,3)4;1-4-6(3)5-2;1-4-5(2)3;1-4(2)3;1-3-4-2;1-3-2;1-2/h9H,6-8H2,1-5H3;8H,4-7H2,1-3H3;6-8H,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
• InChIKey: ZECHBKIYGFORQF-UHFFFAOYSA-N
• XLogP: 28.39
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.10
LogP ≤ 5	28.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane?

The IUPAC name of butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane (CID 162094809) is butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane.

What is the SMILES notation for butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane?

The canonical SMILES for butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane is CC.CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C(C)C.CC1CC(C)(C)CC(C)(C)C1.CC1CCC(C)(C)CC1.CCC.CCC(C)(C)C.CCC(C)(C)CC.CCC(C)C.CCC(C)CC.CCCC.

What is the InChIKey of butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane?

The InChIKey is ZECHBKIYGFORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C9H18.C8H18.2C7H16.2C6H14.C5H12.2C4H10.C3H8.C2H6/c1-9-6-10(2,3)8-11(4,5)7-9;1-8-4-6-9(2,3)7-5-8;1-6(2)8(5)7(3)4;1-6(2)7(3,4)5;1-5-7(3,4)6-2;1-5-6(2,3)4;1-4-6(3)5-2;1-4-5(2)3;1-4(2)3;1-3-4-2;1-3-2;1-2/h9H,6-8H2,1-5H3;8H,4-7H2,1-3H3;6-8H,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.

What are the key properties of butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane?

butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane has a molecular weight of 1030.10 g/mol, XLogP of 28.39, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane is sourced from PubChem (CID 162094809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).