tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid

C15H34O11 — CID 173161681

IUPACtris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
SMILESC=CC(=O)O.OCCOCCO.OCCOCCO.OCCOCCO
InChIInChI=1S/3C4H10O3.C3H4O2/c3*5-1-3-7-4-2-6;1-2-3(4)5/h3*5-6H,1-4H2;2H,1H2,(H,4,5)
InChIKeyPHBYPFDAVFUQSZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP-2.78
Rot. Bonds13

About tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid

tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid (PubChem CID 173161681) has the molecular formula C15H34O11 and a molecular weight of 390.43 g/mol. Its IUPAC name is tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid.

Molecular Properties

Compound Nametris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
PubChem CID173161681
Molecular FormulaC15H34O11
Molecular Weight390.43 g/mol
Exact Mass390.21
IUPAC Nametris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
SMILESC=CC(=O)O.OCCOCCO.OCCOCCO.OCCOCCO
InChIInChI=1S/3C4H10O3.C3H4O2/c3*5-1-3-7-4-2-6;1-2-3(4)5/h3*5-6H,1-4H2;2H,1H2,(H,4,5)
InChIKeyPHBYPFDAVFUQSZ-UHFFFAOYSA-N
XLogP-2.78
TPSA186.37 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 5-2.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
CID 175831350
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
2-methoxyethanol;prop-2-enoic acid;titanium
CID 22899396
2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid
CID 159030949
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207

Frequently Asked Questions

What is the IUPAC name of tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid?
The IUPAC name of tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid (CID 173161681) is tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid.
What is the SMILES notation for tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid?
The canonical SMILES for tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid is C=CC(=O)O.OCCOCCO.OCCOCCO.OCCOCCO.
What is the InChIKey of tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid?
The InChIKey is PHBYPFDAVFUQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O3.C3H4O2/c3*5-1-3-7-4-2-6;1-2-3(4)5/h3*5-6H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid?
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid has a molecular weight of 390.43 g/mol, XLogP of -2.78, 13 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid is sourced from PubChem (CID 173161681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).