2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol

C7H11IO3 — CID 71359998

IUPAC2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol
SMILESOCCOCCOCC#CI
InChIInChI=1S/C7H11IO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,3-7H2
InChIKeyWABQZGPXFFNXHF-UHFFFAOYSA-N
MW270.07 g/mol
LogP0.41
Rot. Bonds6

About 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol

2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol (PubChem CID 71359998) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol
PubChem CID71359998
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Name2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol
SMILESOCCOCCOCC#CI
InChIInChI=1S/C7H11IO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,3-7H2
InChIKeyWABQZGPXFFNXHF-UHFFFAOYSA-N
XLogP0.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
CID 12527705
2-(3-iodoprop-2-ynoxy)ethanol;methanesulfonic acid
CID 71325119
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-(3-iodoprop-2-ynoxy)ethyl acetate
CID 13267732
1-iodo-3-(3-iodoprop-2-ynoxymethoxy)prop-1-yne
CID 87993141
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
CID 159345993
CID 159345993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol (CID 71359998) is 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol is OCCOCCOCC#CI.
What is the InChIKey of 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol?
The InChIKey is WABQZGPXFFNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,3-7H2.
What are the key properties of 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol?
2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol has a molecular weight of 270.07 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol is sourced from PubChem (CID 71359998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).