2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane

C12H24I2O5 — CID 87643466

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane
SMILESCCOCCOCCOCC(I)OCCOCCI
InChIInChI=1S/C12H24I2O5/c1-2-15-5-6-17-7-8-18-11-12(14)19-10-9-16-4-3-13/h12H,2-11H2,1H3
InChIKeyHYBSAZYGJHGFGY-UHFFFAOYSA-N
MW502.13 g/mol
LogP2.29
Rot. Bonds15

About 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane

2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane (PubChem CID 87643466) has the molecular formula C12H24I2O5 and a molecular weight of 502.13 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane
PubChem CID87643466
Molecular FormulaC12H24I2O5
Molecular Weight502.13 g/mol
Exact Mass501.97
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane
SMILESCCOCCOCCOCC(I)OCCOCCI
InChIInChI=1S/C12H24I2O5/c1-2-15-5-6-17-7-8-18-11-12(14)19-10-9-16-4-3-13/h12H,2-11H2,1H3
InChIKeyHYBSAZYGJHGFGY-UHFFFAOYSA-N
XLogP2.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.13
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
1-[2-(2-iodoethoxy)ethoxy]ethanol
CID 86587426
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane (CID 87643466) is 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane is CCOCCOCCOCC(I)OCCOCCI.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane?
The InChIKey is HYBSAZYGJHGFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24I2O5/c1-2-15-5-6-17-7-8-18-11-12(14)19-10-9-16-4-3-13/h12H,2-11H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane?
2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane has a molecular weight of 502.13 g/mol, XLogP of 2.29, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane is sourced from PubChem (CID 87643466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).