2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one

C117H219F5O18 — CID 163852610

About 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one

2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one (PubChem CID 163852610) has the molecular formula C117H219F5O18 and a molecular weight of 2009.01 g/mol. Its IUPAC name is 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one
• PubChem CID: 163852610
• Molecular Formula: C117H219F5O18
• Molecular Weight: 2009.01 g/mol
• Exact Mass: 2007.61
• IUPAC Name: 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one
• SMILES: CC(C)(C)C(=O)CC(F)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC[C@@H](F)C(=O)C(C)(C)C.CC(C)(C)C(=O)CC[C@H](F)C(=O)C(C)(C)C.CC(C)(C)CCCC(=O)C(C)(C)C.CC(C)(C)CCCCC(=O)C(C)(C)C.CC(C)(C)OCC(=O)CC[C@@H](F)C(=O)C(C)(C)C.CC(C)(C)OCC(=O)CC[C@H](F)C(=O)C(C)(C)C.CC(C)(C)OCCCC(=O)C(C)(C)C.CC(C)(C)OCCCCC(=O)C(C)(C)C
• InChI: InChI=1S/2C14H25FO3.3C13H23FO2.C13H26O2.C13H26O.C12H24O2.C12H24O/c2*1-13(2,3)12(17)11(15)8-7-10(16)9-18-14(4,5)6;1-12(2,3)10(15)7-9(14)8-11(16)13(4,5)6;2*1-12(2,3)10(15)8-7-9(14)11(16)13(4,5)6;1-12(2,3)11(14)9-7-8-10-15-13(4,5)6;1-12(2,3)10-8-7-9-11(14)13(4,5)6;1-11(2,3)10(13)8-7-9-14-12(4,5)6;1-11(2,3)9-7-8-10(13)12(4,5)6/h2*11H,7-9H2,1-6H3;3*9H,7-8H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3;7-9H2,1-6H3/t2*11-;;2*9-;;;;/m10.10..../s1
• InChIKey: OVQJZQIMICPMQP-WQYNOWLBSA-N
• XLogP: 31.02
• TPSA: 275.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 40
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.01
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one?

The IUPAC name of 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one (CID 163852610) is 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one.

What is the SMILES notation for 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one?

The canonical SMILES for 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one is CC(C)(C)C(=O)CC(F)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC[C@@H](F)C(=O)C(C)(C)C.CC(C)(C)C(=O)CC[C@H](F)C(=O)C(C)(C)C.CC(C)(C)CCCC(=O)C(C)(C)C.CC(C)(C)CCCCC(=O)C(C)(C)C.CC(C)(C)OCC(=O)CC[C@@H](F)C(=O)C(C)(C)C.CC(C)(C)OCC(=O)CC[C@H](F)C(=O)C(C)(C)C.CC(C)(C)OCCCC(=O)C(C)(C)C.CC(C)(C)OCCCCC(=O)C(C)(C)C.

What is the InChIKey of 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one?

The InChIKey is OVQJZQIMICPMQP-WQYNOWLBSA-N. The full InChI is InChI=1S/2C14H25FO3.3C13H23FO2.C13H26O2.C13H26O.C12H24O2.C12H24O/c2*1-13(2,3)12(17)11(15)8-7-10(16)9-18-14(4,5)6;1-12(2,3)10(15)7-9(14)8-11(16)13(4,5)6;2*1-12(2,3)10(15)8-7-9(14)11(16)13(4,5)6;1-12(2,3)11(14)9-7-8-10-15-13(4,5)6;1-12(2,3)10-8-7-9-11(14)13(4,5)6;1-11(2,3)10(13)8-7-9-14-12(4,5)6;1-11(2,3)9-7-8-10(13)12(4,5)6/h2*11H,7-9H2,1-6H3;3*9H,7-8H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3;7-9H2,1-6H3/t2*11-;;2*9-;;;;/m10.10..../s1.

What are the key properties of 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one?

2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one has a molecular weight of 2009.01 g/mol, XLogP of 31.02, 40 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one is sourced from PubChem (CID 163852610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).