1-[2-(2-iodoethoxy)ethoxy]ethanol

C6H13IO3 — CID 86587426

IUPAC1-[2-(2-iodoethoxy)ethoxy]ethanol
SMILESCC(O)OCCOCCI
InChIInChI=1S/C6H13IO3/c1-6(8)10-5-4-9-3-2-7/h6,8H,2-5H2,1H3
InChIKeyPBFUDXLPZHLISE-UHFFFAOYSA-N
MW260.07 g/mol
LogP0.79
Rot. Bonds6

About 1-[2-(2-iodoethoxy)ethoxy]ethanol

1-[2-(2-iodoethoxy)ethoxy]ethanol (PubChem CID 86587426) has the molecular formula C6H13IO3 and a molecular weight of 260.07 g/mol. Its IUPAC name is 1-[2-(2-iodoethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2-(2-iodoethoxy)ethoxy]ethanol
PubChem CID86587426
Molecular FormulaC6H13IO3
Molecular Weight260.07 g/mol
Exact Mass259.99
IUPAC Name1-[2-(2-iodoethoxy)ethoxy]ethanol
SMILESCC(O)OCCOCCI
InChIInChI=1S/C6H13IO3/c1-6(8)10-5-4-9-3-2-7/h6,8H,2-5H2,1H3
InChIKeyPBFUDXLPZHLISE-UHFFFAOYSA-N
XLogP0.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
CID 19077305
2-[2-(2-ethoxyethoxy)ethoxy]-1-iodo-1-[2-(2-iodoethoxy)ethoxy]ethane
CID 87643466
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
1-chloro-2-(2-iodoethoxy)ethane
CID 86625811
2-(2-iodoethoxy)ethanol
CID 14765037
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829
2-[2-(iodomethoxy)ethoxy]propane
CID 118312444
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
magnesium;hydride;1-propoxyethanol
CID 174529104
bis(1-(2-hexoxyethoxy)ethanol);pentanedioic acid
CID 88821065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodoethoxy)ethoxy]ethanol?
The IUPAC name of 1-[2-(2-iodoethoxy)ethoxy]ethanol (CID 86587426) is 1-[2-(2-iodoethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-[2-(2-iodoethoxy)ethoxy]ethanol?
The canonical SMILES for 1-[2-(2-iodoethoxy)ethoxy]ethanol is CC(O)OCCOCCI.
What is the InChIKey of 1-[2-(2-iodoethoxy)ethoxy]ethanol?
The InChIKey is PBFUDXLPZHLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO3/c1-6(8)10-5-4-9-3-2-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-[2-(2-iodoethoxy)ethoxy]ethanol?
1-[2-(2-iodoethoxy)ethoxy]ethanol has a molecular weight of 260.07 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodoethoxy)ethoxy]ethanol is sourced from PubChem (CID 86587426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).