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;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

C107H216F6 — CID 158312101

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;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;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 158312101) has the molecular formula C107H216F6 and a molecular weight of 1616.89 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;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;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: 158312101
• Molecular Formula: C107H216F6
• Molecular Weight: 1616.89 g/mol
• Exact Mass: 1615.68
• 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;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: 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/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/b;;;;;;;;8-6+
• InChIKey: GNUMNAHAXSPVEI-SKLLNBOFSA-N
• XLogP: 39.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 51
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1616.89
LogP ≤ 5	39.88
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;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;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 158312101) 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;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;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;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 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;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 GNUMNAHAXSPVEI-SKLLNBOFSA-N. The full InChI is InChI=1S/2C13H26.C13H28.C12H22F2.C12H24.2C11H22F2.C11H24.C11H22/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/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;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;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 1616.89 g/mol, XLogP of 39.88, 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;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 158312101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).