2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium

C11H21F9O14S3Yb — CID 11094038

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.OCCOCCOCCOCCO.[Yb]
InChIInChI=1S/C8H18O5.3CHF3O3S.Yb/c9-1-3-11-5-7-13-8-6-12-4-2-10;3*2-1(3,4)8(5,6)7;/h9-10H,1-8H2;3*(H,5,6,7);
InChIKeySGDMVNUZGHWCAF-UHFFFAOYSA-N
MW817.50 g/mol
LogP0.20
Rot. Bonds10

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium (PubChem CID 11094038) has the molecular formula C11H21F9O14S3Yb and a molecular weight of 817.50 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium
PubChem CID11094038
Molecular FormulaC11H21F9O14S3Yb
Molecular Weight817.50 g/mol
Exact Mass817.93
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.OCCOCCOCCOCCO.[Yb]
InChIInChI=1S/C8H18O5.3CHF3O3S.Yb/c9-1-3-11-5-7-13-8-6-12-4-2-10;3*2-1(3,4)8(5,6)7;/h9-10H,1-8H2;3*(H,5,6,7);
InChIKeySGDMVNUZGHWCAF-UHFFFAOYSA-N
XLogP0.20
TPSA231.26 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.50
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium (CID 11094038) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium is O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.OCCOCCOCCOCCO.[Yb].
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium?
The InChIKey is SGDMVNUZGHWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.3CHF3O3S.Yb/c9-1-3-11-5-7-13-8-6-12-4-2-10;3*2-1(3,4)8(5,6)7;/h9-10H,1-8H2;3*(H,5,6,7);.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium has a molecular weight of 817.50 g/mol, XLogP of 0.20, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tris(trifluoromethanesulfonic acid);ytterbium is sourced from PubChem (CID 11094038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).