(4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione

C121H229NO18 — CID 163649544

About (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione

(4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione (PubChem CID 163649544) has the molecular formula C121H229NO18 and a molecular weight of 1986.15 g/mol. Its IUPAC name is (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione.

Molecular Properties

• Compound Name: (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione
• PubChem CID: 163649544
• Molecular Formula: C121H229NO18
• Molecular Weight: 1986.15 g/mol
• Exact Mass: 1984.70
• IUPAC Name: (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione
• SMILES: CC(C)CC(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.CC(C)CC(CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@@H](CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.CC(C)C[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@@H](NC(=O)COC(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C
• InChI: InChI=1S/3C18H34O3.3C17H32O2.C16H31NO3/c1-13(2)9-14(11-16(20)17(3,4)5)10-15(19)12-21-18(6,7)8;2*1-13(2)11-14(16(20)17(3,4)5)9-10-15(19)12-21-18(6,7)8;1-12(2)9-13(10-14(18)16(3,4)5)11-15(19)17(6,7)8;2*1-12(2)11-13(15(19)17(6,7)8)9-10-14(18)16(3,4)5;1-11(2)9-12(14(19)15(3,4)5)17-13(18)10-20-16(6,7)8/h3*13-14H,9-12H2,1-8H3;3*12-13H,9-11H2,1-8H3;11-12H,9-10H2,1-8H3,(H,17,18)/t2*14-;;;2*13-;12-/m00..101/s1
• InChIKey: ILBUHLQBDAVZNJ-AYRLROOUSA-N
• XLogP: 30.21
• TPSA: 287.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 48
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.15
LogP ≤ 5	30.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione?

The IUPAC name of (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione (CID 163649544) is (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione.

What is the SMILES notation for (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione?

The canonical SMILES for (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione is CC(C)CC(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.CC(C)CC(CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@@H](CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.CC(C)C[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@@H](NC(=O)COC(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)C[C@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.

What is the InChIKey of (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione?

The InChIKey is ILBUHLQBDAVZNJ-AYRLROOUSA-N. The full InChI is InChI=1S/3C18H34O3.3C17H32O2.C16H31NO3/c1-13(2)9-14(11-16(20)17(3,4)5)10-15(19)12-21-18(6,7)8;2*1-13(2)11-14(16(20)17(3,4)5)9-10-15(19)12-21-18(6,7)8;1-12(2)9-13(10-14(18)16(3,4)5)11-15(19)17(6,7)8;2*1-12(2)11-13(15(19)17(6,7)8)9-10-14(18)16(3,4)5;1-11(2)9-12(14(19)15(3,4)5)17-13(18)10-20-16(6,7)8/h3*13-14H,9-12H2,1-8H3;3*12-13H,9-11H2,1-8H3;11-12H,9-10H2,1-8H3,(H,17,18)/t2*14-;;;2*13-;12-/m00..101/s1.

What are the key properties of (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione?

(4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione has a molecular weight of 1986.15 g/mol, XLogP of 30.21, 48 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione is sourced from PubChem (CID 163649544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).