3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane

C114H244F6 — CID 157105343

About 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane

3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane (PubChem CID 157105343) has the molecular formula C114H244F6 and a molecular weight of 1729.19 g/mol. Its IUPAC name is 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane.

Molecular Properties

• Compound Name: 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
• PubChem CID: 157105343
• Molecular Formula: C114H244F6
• Molecular Weight: 1729.19 g/mol
• Exact Mass: 1727.90
• IUPAC Name: 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
• SMILES: C.C.C.C.C.C.C.CC(C)/C=C/CCCC(C)C.CC(C)CCCC(F)(F)CC(C)C.CC(C)CCCC1(CC(C)C)CC1.CC(C)CCCC1C(C(C)C)C1(F)F.CC(C)CCCC1CC1C(C)C.CC(C)CCCCC(C)(C)C(C)C.CC(C)CCCCC(F)(F)C(C)C.CC(C)CCCCC1(C(C)C)CC1.CC(C)CCCCCC(C)C
• InChI: InChI=1S/2C13H26.C13H28.C12H22F2.C12H24.2C11H22F2.C11H24.C11H22.7CH4/c1-11(2)6-5-7-13(8-9-13)10-12(3)4;1-11(2)7-5-6-8-13(9-10-13)12(3)4;1-11(2)9-7-8-10-13(5,6)12(3)4;1-8(2)6-5-7-10-11(9(3)4)12(10,13)14;1-9(2)6-5-7-11-8-12(11)10(3)4;1-9(2)6-5-7-11(12,13)8-10(3)4;1-9(2)7-5-6-8-11(12,13)10(3)4;2*1-10(2)8-6-5-7-9-11(3)4;;;;;;;/h2*11-12H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;8-11H,5-7H2,1-4H3;9-12H,5-8H2,1-4H3;2*9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;6,8,10-11H,5,7,9H2,1-4H3;7*1H4/b;;;;;;;;8-6+
• InChIKey: AGFRAIUQEIGIJS-MDLWKJKOSA-N
• XLogP: 44.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 51
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1729.19
LogP ≤ 5	44.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?

The IUPAC name of 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane (CID 157105343) is 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane.

What is the SMILES notation for 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?

The canonical SMILES for 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane is C.C.C.C.C.C.C.CC(C)/C=C/CCCC(C)C.CC(C)CCCC(F)(F)CC(C)C.CC(C)CCCC1(CC(C)C)CC1.CC(C)CCCC1C(C(C)C)C1(F)F.CC(C)CCCC1CC1C(C)C.CC(C)CCCCC(C)(C)C(C)C.CC(C)CCCCC(F)(F)C(C)C.CC(C)CCCCC1(C(C)C)CC1.CC(C)CCCCCC(C)C.

What is the InChIKey of 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?

The InChIKey is AGFRAIUQEIGIJS-MDLWKJKOSA-N. The full InChI is InChI=1S/2C13H26.C13H28.C12H22F2.C12H24.2C11H22F2.C11H24.C11H22.7CH4/c1-11(2)6-5-7-13(8-9-13)10-12(3)4;1-11(2)7-5-6-8-13(9-10-13)12(3)4;1-11(2)9-7-8-10-13(5,6)12(3)4;1-8(2)6-5-7-10-11(9(3)4)12(10,13)14;1-9(2)6-5-7-11-8-12(11)10(3)4;1-9(2)6-5-7-11(12,13)8-10(3)4;1-9(2)7-5-6-8-11(12,13)10(3)4;2*1-10(2)8-6-5-7-9-11(3)4;;;;;;;/h2*11-12H,5-10H2,1-4H3;11-12H,7-10H2,1-6H3;8-11H,5-7H2,1-4H3;9-12H,5-8H2,1-4H3;2*9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;6,8,10-11H,5,7,9H2,1-4H3;7*1H4/b;;;;;;;;8-6+;;;;;;;.

What are the key properties of 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane?

3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane has a molecular weight of 1729.19 g/mol, XLogP of 44.33, 51 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-2,8-dimethylnonane;4,4-difluoro-2,8-dimethylnonane;1,1-difluoro-2-(4-methylpentyl)-3-propan-2-ylcyclopropane;2,8-dimethylnonane;(E)-2,8-dimethylnon-3-ene;methane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-1-(2-methylpropyl)cyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane is sourced from PubChem (CID 157105343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).