2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid

C18H39NO6 — CID 173031616

IUPAC2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO
InChIInChI=1S/C10H20O2.C8H19NO4/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-9(12-7-5-10)13-8-6-11/h2-9H2,1H3,(H,11,12);10-11H,2-8H2,1H3
InChIKeySZLYLEZNBDQZLM-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.15
Rot. Bonds17

About 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid

2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid (PubChem CID 173031616) has the molecular formula C18H39NO6 and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
PubChem CID173031616
Molecular FormulaC18H39NO6
Molecular Weight365.51 g/mol
Exact Mass365.28
IUPAC Name2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO
InChIInChI=1S/C10H20O2.C8H19NO4/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-9(12-7-5-10)13-8-6-11/h2-9H2,1H3,(H,11,12);10-11H,2-8H2,1H3
InChIKeySZLYLEZNBDQZLM-UHFFFAOYSA-N
XLogP3.15
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
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 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid?
The IUPAC name of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid (CID 173031616) is 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid is CCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO.
What is the InChIKey of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid?
The InChIKey is SZLYLEZNBDQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C8H19NO4/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-9(12-7-5-10)13-8-6-11/h2-9H2,1H3,(H,11,12);10-11H,2-8H2,1H3.
What are the key properties of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid?
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid has a molecular weight of 365.51 g/mol, XLogP of 3.15, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid is sourced from PubChem (CID 173031616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).