7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate

C49H82F3NO6 — CID 143850347

About 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate

7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate (PubChem CID 143850347) has the molecular formula C49H82F3NO6 and a molecular weight of 838.19 g/mol. Its IUPAC name is 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate.

Molecular Properties

• Compound Name: 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate
• PubChem CID: 143850347
• Molecular Formula: C49H82F3NO6
• Molecular Weight: 838.19 g/mol
• Exact Mass: 837.61
• IUPAC Name: 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate
• SMILES: CCCCC(CC)COC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)C(C)(C)CC(C)(C(=O)OCC(F)(F)F)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
• InChI: InChI=1S/C49H82F3NO6/c1-18-22-26-36(19-2)31-57-40(55)38(29-42(7,8)34(5)37-27-24-23-25-28-37)44(11,12)43(9,10)32-47(16,41(56)58-33-49(50,51)52)45(13,14)59-53-46(15,20-3)30-39(54)35(6)48(53,17)21-4/h23-25,27-28,34-36,38H,18-22,26,29-33H2,1-17H3
• InChIKey: MBZLCHCTMRLZOA-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 82.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.19
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate?

The IUPAC name of 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate (CID 143850347) is 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate.

What is the SMILES notation for 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate?

The canonical SMILES for 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate is CCCCC(CC)COC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)C(C)(C)CC(C)(C(=O)OCC(F)(F)F)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.

What is the InChIKey of 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate?

The InChIKey is MBZLCHCTMRLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H82F3NO6/c1-18-22-26-36(19-2)31-57-40(55)38(29-42(7,8)34(5)37-27-24-23-25-28-37)44(11,12)43(9,10)32-47(16,41(56)58-33-49(50,51)52)45(13,14)59-53-46(15,20-3)30-39(54)35(6)48(53,17)21-4/h23-25,27-28,34-36,38H,18-22,26,29-33H2,1-17H3.

What are the key properties of 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate?

7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate has a molecular weight of 838.19 g/mol, XLogP of 13.10, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate is sourced from PubChem (CID 143850347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).