1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane

C10H19Cl2IO3 — CID 103180251

IUPAC1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane
SMILESCOCCCOCCOC(CCl)C(I)CCl
InChIInChI=1S/C10H19Cl2IO3/c1-14-3-2-4-15-5-6-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3
InChIKeyMUUIEYXITZOEHJ-UHFFFAOYSA-N
MW385.07 g/mol
LogP2.71
Rot. Bonds11

About 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane

1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane (PubChem CID 103180251) has the molecular formula C10H19Cl2IO3 and a molecular weight of 385.07 g/mol. Its IUPAC name is 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane.

Molecular Properties

Compound Name1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane
PubChem CID103180251
Molecular FormulaC10H19Cl2IO3
Molecular Weight385.07 g/mol
Exact Mass383.98
IUPAC Name1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane
SMILESCOCCCOCCOC(CCl)C(I)CCl
InChIInChI=1S/C10H19Cl2IO3/c1-14-3-2-4-15-5-6-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3
InChIKeyMUUIEYXITZOEHJ-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane?
The IUPAC name of 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane (CID 103180251) is 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane.
What is the SMILES notation for 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane?
The canonical SMILES for 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane is COCCCOCCOC(CCl)C(I)CCl.
What is the InChIKey of 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane?
The InChIKey is MUUIEYXITZOEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2IO3/c1-14-3-2-4-15-5-6-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane?
1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane has a molecular weight of 385.07 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane is sourced from PubChem (CID 103180251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).