2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane

C241H451F3N2 — CID 159941822

About 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane

2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane (PubChem CID 159941822) has the molecular formula C241H451F3N2 and a molecular weight of 3434.27 g/mol. Its IUPAC name is 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane.

Molecular Properties

• Compound Name: 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane
• PubChem CID: 159941822
• Molecular Formula: C241H451F3N2
• Molecular Weight: 3434.27 g/mol
• Exact Mass: 3431.53
• IUPAC Name: 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane
• SMILES: CC(C)=CCC(C)C.CC(C)C1CCCC1.CC(C)CC(C)C.CC(C)CC1(C)CC1.CC(C)CC1(C)CCC1.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CCC(C)(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)CCC1CC1.CC(C)CCC1CCC1.CC(C)CCC1CCCC1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CCC.CCC(C)(C)CC(C)C.CCC(C)(C)CCC(C)C.CCC(C)CC(C)C.CCC(C)CCC(C)C.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1C.Cc1ccc(CC(C)C)nc1
• InChI: InChI=1S/C12H18.3C11H15F.C11H16.C10H15N.C10H20.C10H14.C10H22.C9H13N.3C9H18.4C9H20.4C8H16.C8H18.C8H16.C8H18.C7H14.C7H16.C3H8/c1-9(2)7-12-6-5-10(3)11(4)8-12;3*1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-10-5-4-9(3)7-11-10;1-9(2)7-8-10-5-3-4-6-10;1-9(2)8-10-6-4-3-5-7-10;1-6-10(4,5)8-7-9(2)3;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9(3)5-4-6-9;1-8(2)6-7-9-4-3-5-9;1-8(2)7-9-5-3-4-6-9;2*1-8(2)6-7-9(3,4)5;1-6-9(4,5)7-8(2)3;1-5-9(4)7-6-8(2)3;1-7(2)6-8(3)4-5-8;1-7(2)3-4-8-5-6-8;1-7(2)6-8-4-3-5-8;1-7(2)8-5-3-4-6-8;2*1-7(2)5-6-8(3)4;1-5-8(4)6-7(2)3;1-6(2)5-7-3-4-7;1-6(2)5-7(3)4;1-3-2/h5-6,8-9H,7H2,1-4H3;3*4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,6-8H2,1-5H3;3-6,8H,7H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;3*8H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7H,4-6H2,1-3H3;3*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;5,8H,6H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;3H2,1-2H3
• InChIKey: OAZAMQUUOWYYFX-UHFFFAOYSA-N
• XLogP: 82.50
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 61
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3434.27
LogP ≤ 5	82.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane?

The IUPAC name of 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane (CID 159941822) is 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane.

What is the SMILES notation for 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane?

The canonical SMILES for 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane is CC(C)=CCC(C)C.CC(C)C1CCCC1.CC(C)CC(C)C.CC(C)CC1(C)CC1.CC(C)CC1(C)CCC1.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CCC(C)(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)CCC1CC1.CC(C)CCC1CCC1.CC(C)CCC1CCCC1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CCC.CCC(C)(C)CC(C)C.CCC(C)(C)CCC(C)C.CCC(C)CC(C)C.CCC(C)CCC(C)C.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1C.Cc1ccc(CC(C)C)nc1.

What is the InChIKey of 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane?

The InChIKey is OAZAMQUUOWYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.3C11H15F.C11H16.C10H15N.C10H20.C10H14.C10H22.C9H13N.3C9H18.4C9H20.4C8H16.C8H18.C8H16.C8H18.C7H14.C7H16.C3H8/c1-9(2)7-12-6-5-10(3)11(4)8-12;3*1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-10-5-4-9(3)7-11-10;1-9(2)7-8-10-5-3-4-6-10;1-9(2)8-10-6-4-3-5-7-10;1-6-10(4,5)8-7-9(2)3;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9(3)5-4-6-9;1-8(2)6-7-9-4-3-5-9;1-8(2)7-9-5-3-4-6-9;2*1-8(2)6-7-9(3,4)5;1-6-9(4,5)7-8(2)3;1-5-9(4)7-6-8(2)3;1-7(2)6-8(3)4-5-8;1-7(2)3-4-8-5-6-8;1-7(2)6-8-4-3-5-8;1-7(2)8-5-3-4-6-8;2*1-7(2)5-6-8(3)4;1-5-8(4)6-7(2)3;1-6(2)5-7-3-4-7;1-6(2)5-7(3)4;1-3-2/h5-6,8-9H,7H2,1-4H3;3*4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,6-8H2,1-5H3;3-6,8H,7H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;3*8H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7H,4-6H2,1-3H3;3*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;5,8H,6H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;3H2,1-2H3.

What are the key properties of 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane?

2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane has a molecular weight of 3434.27 g/mol, XLogP of 82.50, 61 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane is sourced from PubChem (CID 159941822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).