diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate

C33H45NO5 — CID 15550884

IUPACdiethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate
SMILESCCOC(=O)C(CCCC=C(c1ccccc1)c1ccccc1)(ON1C(C)(C)CCCC1(C)C)C(=O)OCC
InChIInChI=1S/C33H45NO5/c1-7-37-29(35)33(30(36)38-8-2,39-34-31(3,4)23-17-24-32(34,5)6)25-16-15-22-28(26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-14,18-22H,7-8,15-17,23-25H2,1-6H3
InChIKeyFUSPPHWXBKSGOF-UHFFFAOYSA-N
MW535.73 g/mol
LogP7.13
Rot. Bonds12

About diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate

diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate (PubChem CID 15550884) has the molecular formula C33H45NO5 and a molecular weight of 535.73 g/mol. Its IUPAC name is diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate.

Molecular Properties

Compound Namediethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate
PubChem CID15550884
Molecular FormulaC33H45NO5
Molecular Weight535.73 g/mol
Exact Mass535.33
IUPAC Namediethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate
SMILESCCOC(=O)C(CCCC=C(c1ccccc1)c1ccccc1)(ON1C(C)(C)CCCC1(C)C)C(=O)OCC
InChIInChI=1S/C33H45NO5/c1-7-37-29(35)33(30(36)38-8-2,39-34-31(3,4)23-17-24-32(34,5)6)25-16-15-22-28(26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-14,18-22H,7-8,15-17,23-25H2,1-6H3
InChIKeyFUSPPHWXBKSGOF-UHFFFAOYSA-N
XLogP7.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate with MolForge

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Related Compounds

diethyl 2-[(E)-5-methoxypent-4-enyl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate
CID 11101730
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
methyl 8,8-diphenyloct-7-enoate
CID 13104337
4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
CID 57269165
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
ethyl (E)-7-(5-formyl-3-pyridinyl)-7-phenylhept-6-enoate
CID 10382440
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
(2,2,6,6-tetramethylpiperidin-1-yl) 6-hydroxy-8-phenyl-6-(2-phenylethynyl)oct-7-ynoate
CID 11397293

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate?
The IUPAC name of diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate (CID 15550884) is diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate.
What is the SMILES notation for diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate?
The canonical SMILES for diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate is CCOC(=O)C(CCCC=C(c1ccccc1)c1ccccc1)(ON1C(C)(C)CCCC1(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate?
The InChIKey is FUSPPHWXBKSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO5/c1-7-37-29(35)33(30(36)38-8-2,39-34-31(3,4)23-17-24-32(34,5)6)25-16-15-22-28(26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-14,18-22H,7-8,15-17,23-25H2,1-6H3.
What are the key properties of diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate?
diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate has a molecular weight of 535.73 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(5,5-diphenylpent-4-enyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanedioate is sourced from PubChem (CID 15550884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).