2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol

C13H18Cl2N4O4 — CID 155689585

IUPAC2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2
InChIKeyYZEMZXINZOBCJC-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.18
Rot. Bonds11

About 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 155689585) has the molecular formula C13H18Cl2N4O4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID155689585
Molecular FormulaC13H18Cl2N4O4
Molecular Weight365.22 g/mol
Exact Mass364.07
IUPAC Name2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2
InChIKeyYZEMZXINZOBCJC-UHFFFAOYSA-N
XLogP1.18
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol (CID 155689585) is 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCn1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is YZEMZXINZOBCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O4/c14-11-10-12(18-13(15)17-11)19(9-16-10)1-3-21-5-7-23-8-6-22-4-2-20/h9,20H,1-8H2.
What are the key properties of 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 365.22 g/mol, XLogP of 1.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 155689585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).