1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride

C78H155Cl7O40S — CID 159898077

IUPAC1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride
SMILESClCCOCCOCCOCC(COCC(COCC(COCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl.O=S(Cl)Cl.OCCOCCOCCOCC(COCC(COCC(COCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO
InChIInChI=1S/C39H75Cl5O17.C39H80O22.Cl2OS/c2*40-1-6-45-11-16-50-21-23-55-31-37(59-28-25-52-18-13-47-8-3-42)33-57-35-39(61-30-27-54-20-15-49-10-5-44)36-58-34-38(60-29-26-53-19-14-48-9-4-43)32-56-24-22-51-17-12-46-7-2-41;1-4(2)3/h37-39H,1-36H2;37-44H,1-36H2;
InChIKeyNVPHUBIYHSGLEX-UHFFFAOYSA-N
MW2013.30 g/mol
LogP1.95
Rot. Bonds110

About 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride

1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride (PubChem CID 159898077) has the molecular formula C78H155Cl7O40S and a molecular weight of 2013.30 g/mol. Its IUPAC name is 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride.

Molecular Properties

Compound Name1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride
PubChem CID159898077
Molecular FormulaC78H155Cl7O40S
Molecular Weight2013.30 g/mol
Exact Mass2008.76
IUPAC Name1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride
SMILESClCCOCCOCCOCC(COCC(COCC(COCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl.O=S(Cl)Cl.OCCOCCOCCOCC(COCC(COCC(COCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO
InChIInChI=1S/C39H75Cl5O17.C39H80O22.Cl2OS/c2*40-1-6-45-11-16-50-21-23-55-31-37(59-28-25-52-18-13-47-8-3-42)33-57-35-39(61-30-27-54-20-15-49-10-5-44)36-58-34-38(60-29-26-53-19-14-48-9-4-43)32-56-24-22-51-17-12-46-7-2-41;1-4(2)3/h37-39H,1-36H2;37-44H,1-36H2;
InChIKeyNVPHUBIYHSGLEX-UHFFFAOYSA-N
XLogP1.95
TPSA432.04 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds110
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002013.30
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride with MolForge

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Related Compounds

2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol
CID 59567842
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
1-chloro-2,3-bis(2-chloroethoxy)propane
CID 56630886
2-[2-[1,2-bis(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 174784846
2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 174221710
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2,3-bis[2-[3-(2-hydroxyethoxy)pentanoyloxy]ethoxy]propoxy]ethyl 3-(2-hydroxyethoxy)pentanoate;methane
CID 163881594
1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
CID 175056400

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride?
The IUPAC name of 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride (CID 159898077) is 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride.
What is the SMILES notation for 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride?
The canonical SMILES for 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride is ClCCOCCOCCOCC(COCC(COCC(COCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl)OCCOCCOCCCl.O=S(Cl)Cl.OCCOCCOCCOCC(COCC(COCC(COCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO)OCCOCCOCCO.
What is the InChIKey of 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride?
The InChIKey is NVPHUBIYHSGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H75Cl5O17.C39H80O22.Cl2OS/c2*40-1-6-45-11-16-50-21-23-55-31-37(59-28-25-52-18-13-47-8-3-42)33-57-35-39(61-30-27-54-20-15-49-10-5-44)36-58-34-38(60-29-26-53-19-14-48-9-4-43)32-56-24-22-51-17-12-46-7-2-41;1-4(2)3/h37-39H,1-36H2;37-44H,1-36H2;.
What are the key properties of 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride?
1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride has a molecular weight of 2013.30 g/mol, XLogP of 1.95, 110 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride is sourced from PubChem (CID 159898077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).