tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid

C46H99N3O18 — CID 173155044

IUPACtris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.O=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4.C11H22O2.3C8H19NO4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-2-3-4-9(12-7-5-10)13-8-6-11/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);3*10-11H,2-8H2,1H3
InChIKeySGLZFCJFBVMLLJ-UHFFFAOYSA-N
MW982.30 g/mol
LogP6.08
Rot. Bonds46

About tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid

tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid (PubChem CID 173155044) has the molecular formula C46H99N3O18 and a molecular weight of 982.30 g/mol. Its IUPAC name is tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid.

Molecular Properties

Compound Nametris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
PubChem CID173155044
Molecular FormulaC46H99N3O18
Molecular Weight982.30 g/mol
Exact Mass981.69
IUPAC Nametris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.O=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4.C11H22O2.3C8H19NO4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-2-3-4-9(12-7-5-10)13-8-6-11/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);3*10-11H,2-8H2,1H3
InChIKeySGLZFCJFBVMLLJ-UHFFFAOYSA-N
XLogP6.08
TPSA298.38 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500982.30
LogP ≤ 56.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic 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

2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 87879074
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
CID 173031633
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
acetic acid;butanoic acid;hexakis(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);formic acid;propanedioic acid;propanoic acid
CID 173154943
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
dodecane-1,12-diol;dodecanoic acid
CID 87364102
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
butanedioic acid;decanoic acid;ethane-1,2-diol
CID 174941977

Frequently Asked Questions

What is the IUPAC name of tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid?
The IUPAC name of tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid (CID 173155044) is tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid.
What is the SMILES notation for tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid?
The canonical SMILES for tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid is CCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.O=C(O)CCCCCCCCCC(=O)O.
What is the InChIKey of tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid?
The InChIKey is SGLZFCJFBVMLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4.C11H22O2.3C8H19NO4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-2-3-4-9(12-7-5-10)13-8-6-11/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);3*10-11H,2-8H2,1H3.
What are the key properties of tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid?
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid has a molecular weight of 982.30 g/mol, XLogP of 6.08, 46 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid is sourced from PubChem (CID 173155044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).