bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate

C96H188N2O4 — CID 150982146

IUPACbis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(OC(=O)CCCCC(=O)OC2CC(CCCCCCCCCC)(CCCCCCCCCC)NC(CCCCCCCCCC)(CCCCCCCCCC)C2)CC(CCCCCCCCCC)(CCCCCCCCCC)N1
InChIInChI=1S/C96H188N2O4/c1-9-17-25-33-41-49-57-67-77-93(78-68-58-50-42-34-26-18-10-2)85-89(86-94(97-93,79-69-59-51-43-35-27-19-11-3)80-70-60-52-44-36-28-20-12-4)101-91(99)75-65-66-76-92(100)102-90-87-95(81-71-61-53-45-37-29-21-13-5,82-72-62-54-46-38-30-22-14-6)98-96(88-90,83-73-63-55-47-39-31-23-15-7)84-74-64-56-48-40-32-24-16-8/h89-90,97-98H,9-88H2,1-8H3
InChIKeyLQICQZRFZRDVJJ-UHFFFAOYSA-N
MW1434.57 g/mol
LogP32.34
Rot. Bonds79

About bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate

bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate (PubChem CID 150982146) has the molecular formula C96H188N2O4 and a molecular weight of 1434.57 g/mol. Its IUPAC name is bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate
PubChem CID150982146
Molecular FormulaC96H188N2O4
Molecular Weight1434.57 g/mol
Exact Mass1433.46
IUPAC Namebis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(OC(=O)CCCCC(=O)OC2CC(CCCCCCCCCC)(CCCCCCCCCC)NC(CCCCCCCCCC)(CCCCCCCCCC)C2)CC(CCCCCCCCCC)(CCCCCCCCCC)N1
InChIInChI=1S/C96H188N2O4/c1-9-17-25-33-41-49-57-67-77-93(78-68-58-50-42-34-26-18-10-2)85-89(86-94(97-93,79-69-59-51-43-35-27-19-11-3)80-70-60-52-44-36-28-20-12-4)101-91(99)75-65-66-76-92(100)102-90-87-95(81-71-61-53-45-37-29-21-13-5,82-72-62-54-46-38-30-22-14-6)98-96(88-90,83-73-63-55-47-39-31-23-15-7)84-74-64-56-48-40-32-24-16-8/h89-90,97-98H,9-88H2,1-8H3
InChIKeyLQICQZRFZRDVJJ-UHFFFAOYSA-N
XLogP32.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds79
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001434.57
LogP ≤ 532.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
cyclopropyl decanoate
CID 154321154
cyclobutyl pentadecanoate
CID 46229794
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 102152298
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 101479757
(2,3,4,5,6-pentahydroxycyclohexyl) dodecanoate
CID 164776701
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate?
The IUPAC name of bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate (CID 150982146) is bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate.
What is the SMILES notation for bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate?
The canonical SMILES for bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate is CCCCCCCCCCC1(CCCCCCCCCC)CC(OC(=O)CCCCC(=O)OC2CC(CCCCCCCCCC)(CCCCCCCCCC)NC(CCCCCCCCCC)(CCCCCCCCCC)C2)CC(CCCCCCCCCC)(CCCCCCCCCC)N1.
What is the InChIKey of bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate?
The InChIKey is LQICQZRFZRDVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H188N2O4/c1-9-17-25-33-41-49-57-67-77-93(78-68-58-50-42-34-26-18-10-2)85-89(86-94(97-93,79-69-59-51-43-35-27-19-11-3)80-70-60-52-44-36-28-20-12-4)101-91(99)75-65-66-76-92(100)102-90-87-95(81-71-61-53-45-37-29-21-13-5,82-72-62-54-46-38-30-22-14-6)98-96(88-90,83-73-63-55-47-39-31-23-15-7)84-74-64-56-48-40-32-24-16-8/h89-90,97-98H,9-88H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate?
bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate has a molecular weight of 1434.57 g/mol, XLogP of 32.34, 79 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate is sourced from PubChem (CID 150982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).