1-[2-(iodomethoxy)ethoxy]propane

C6H13IO2 — CID 122592069

IUPAC1-[2-(iodomethoxy)ethoxy]propane
SMILESCCCOCCOCI
InChIInChI=1S/C6H13IO2/c1-2-3-8-4-5-9-6-7/h2-6H2,1H3
InChIKeyAUCGYCDIOJBMTL-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.82
Rot. Bonds6

About 1-[2-(iodomethoxy)ethoxy]propane

1-[2-(iodomethoxy)ethoxy]propane (PubChem CID 122592069) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is 1-[2-(iodomethoxy)ethoxy]propane.

Molecular Properties

Compound Name1-[2-(iodomethoxy)ethoxy]propane
PubChem CID122592069
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Name1-[2-(iodomethoxy)ethoxy]propane
SMILESCCCOCCOCI
InChIInChI=1S/C6H13IO2/c1-2-3-8-4-5-9-6-7/h2-6H2,1H3
InChIKeyAUCGYCDIOJBMTL-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-(iodomethylperoxy)propane
CID 122501010
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
ethane;1-(2-propoxyethoxy)butane
CID 164535746
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
CID 59269676
CID 59269676
1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
CID 87913986
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(iodomethoxy)ethoxy]propane?
The IUPAC name of 1-[2-(iodomethoxy)ethoxy]propane (CID 122592069) is 1-[2-(iodomethoxy)ethoxy]propane.
What is the SMILES notation for 1-[2-(iodomethoxy)ethoxy]propane?
The canonical SMILES for 1-[2-(iodomethoxy)ethoxy]propane is CCCOCCOCI.
What is the InChIKey of 1-[2-(iodomethoxy)ethoxy]propane?
The InChIKey is AUCGYCDIOJBMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2/c1-2-3-8-4-5-9-6-7/h2-6H2,1H3.
What are the key properties of 1-[2-(iodomethoxy)ethoxy]propane?
1-[2-(iodomethoxy)ethoxy]propane has a molecular weight of 244.07 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(iodomethoxy)ethoxy]propane is sourced from PubChem (CID 122592069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).