bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid

C38H70N2O8 — CID 159079251

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C28H52N2O4.C10H18O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h21-22,29-30H,9-20H2,1-8H3;1-8H2,(H,11,12)(H,13,14)
InChIKeyKAQNKDWPKUUFRK-UHFFFAOYSA-N
MW682.98 g/mol
LogP8.09
Rot. Bonds20

About bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid (PubChem CID 159079251) has the molecular formula C38H70N2O8 and a molecular weight of 682.98 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
PubChem CID159079251
Molecular FormulaC38H70N2O8
Molecular Weight682.98 g/mol
Exact Mass682.51
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C28H52N2O4.C10H18O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h21-22,29-30H,9-20H2,1-8H3;1-8H2,(H,11,12)(H,13,14)
InChIKeyKAQNKDWPKUUFRK-UHFFFAOYSA-N
XLogP8.09
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.98
LogP ≤ 58.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
CID 101128218
CID 101128218
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
CID 159996493
10-oxo-10-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]decanoic acid
CID 11638683
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid (CID 159079251) is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid?
The InChIKey is KAQNKDWPKUUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.C10H18O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h21-22,29-30H,9-20H2,1-8H3;1-8H2,(H,11,12)(H,13,14).
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid?
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid has a molecular weight of 682.98 g/mol, XLogP of 8.09, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid is sourced from PubChem (CID 159079251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).