2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C48H88O19 — CID 59180583

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)COc1ccccc1
InChIInChI=1S/C48H88O19/c1-6-13-61-37-43(2)63-38-44(3)64-39-45(4)65-40-46(5)67-48(42-66-47-10-8-7-9-11-47)41-62-36-35-60-34-33-59-32-31-58-30-29-57-28-27-56-26-25-55-24-23-54-22-21-53-20-19-52-18-17-51-16-15-50-14-12-49/h6-11,43-46,48-49H,1,12-42H2,2-5H3
InChIKeyZCMSEGBEFQCEAU-UHFFFAOYSA-N
MW969.21 g/mol
LogP3.45
Rot. Bonds55

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 59180583) has the molecular formula C48H88O19 and a molecular weight of 969.21 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID59180583
Molecular FormulaC48H88O19
Molecular Weight969.21 g/mol
Exact Mass968.59
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)COc1ccccc1
InChIInChI=1S/C48H88O19/c1-6-13-61-37-43(2)63-38-44(3)64-39-45(4)65-40-46(5)67-48(42-66-47-10-8-7-9-11-47)41-62-36-35-60-34-33-59-32-31-58-30-29-57-28-27-56-26-25-55-24-23-54-22-21-53-20-19-52-18-17-51-16-15-50-14-12-49/h6-11,43-46,48-49H,1,12-42H2,2-5H3
InChIKeyZCMSEGBEFQCEAU-UHFFFAOYSA-N
XLogP3.45
TPSA186.37 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds55
Heavy Atoms67
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 59180583) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is C=CCOCC(C)OCC(C)OCC(C)OCC(C)OC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)COc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is ZCMSEGBEFQCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88O19/c1-6-13-61-37-43(2)63-38-44(3)64-39-45(4)65-40-46(5)67-48(42-66-47-10-8-7-9-11-47)41-62-36-35-60-34-33-59-32-31-58-30-29-57-28-27-56-26-25-55-24-23-54-22-21-53-20-19-52-18-17-51-16-15-50-14-12-49/h6-11,43-46,48-49H,1,12-42H2,2-5H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 969.21 g/mol, XLogP of 3.45, 55 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-phenoxy-2-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 59180583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).