5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate

C34H50F5NO6 — CID 58150304

IUPAC5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate
SMILESCCCCOC(=O)C(CC(C)c1ccccc1)CC(C)(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C34H50F5NO6/c1-9-12-18-44-28(42)26(19-23(4)25-16-14-13-15-17-25)20-32(8,29(43)45-22-33(35,36)34(37,38)39)46-40-30(6,10-2)21-27(41)24(5)31(40,7)11-3/h13-17,23-24,26H,9-12,18-22H2,1-8H3
InChIKeyPDGNMQOGZHEOMQ-UHFFFAOYSA-N
MW663.77 g/mol
LogP8.21
Rot. Bonds16

About 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate

5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate (PubChem CID 58150304) has the molecular formula C34H50F5NO6 and a molecular weight of 663.77 g/mol. Its IUPAC name is 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate.

Molecular Properties

Compound Name5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate
PubChem CID58150304
Molecular FormulaC34H50F5NO6
Molecular Weight663.77 g/mol
Exact Mass663.36
IUPAC Name5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate
SMILESCCCCOC(=O)C(CC(C)c1ccccc1)CC(C)(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C34H50F5NO6/c1-9-12-18-44-28(42)26(19-23(4)25-16-14-13-15-17-25)20-32(8,29(43)45-22-33(35,36)34(37,38)39)46-40-30(6,10-2)21-27(41)24(5)31(40,7)11-3/h13-17,23-24,26H,9-12,18-22H2,1-8H3
InChIKeyPDGNMQOGZHEOMQ-UHFFFAOYSA-N
XLogP8.21
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.77
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate?
The IUPAC name of 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate (CID 58150304) is 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate.
What is the SMILES notation for 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate?
The canonical SMILES for 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate is CCCCOC(=O)C(CC(C)c1ccccc1)CC(C)(ON1C(C)(CC)CC(=O)C(C)C1(C)CC)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate?
The InChIKey is PDGNMQOGZHEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50F5NO6/c1-9-12-18-44-28(42)26(19-23(4)25-16-14-13-15-17-25)20-32(8,29(43)45-22-33(35,36)34(37,38)39)46-40-30(6,10-2)21-27(41)24(5)31(40,7)11-3/h13-17,23-24,26H,9-12,18-22H2,1-8H3.
What are the key properties of 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate?
5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate has a molecular weight of 663.77 g/mol, XLogP of 8.21, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate is sourced from PubChem (CID 58150304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).