1-iodo-4-(4-iodobutoxy)butane

C8H16I2O — CID 602937

IUPAC1-iodo-4-(4-iodobutoxy)butane
SMILESICCCCOCCCCI
InChIInChI=1S/C8H16I2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKeyRRYYYLVGSFAYCO-UHFFFAOYSA-N
MW382.02 g/mol
LogP3.43
Rot. Bonds8

About 1-iodo-4-(4-iodobutoxy)butane

1-iodo-4-(4-iodobutoxy)butane (PubChem CID 602937) has the molecular formula C8H16I2O and a molecular weight of 382.02 g/mol. Its IUPAC name is 1-iodo-4-(4-iodobutoxy)butane.

Molecular Properties

Compound Name1-iodo-4-(4-iodobutoxy)butane
PubChem CID602937
Molecular FormulaC8H16I2O
Molecular Weight382.02 g/mol
Exact Mass381.93
IUPAC Name1-iodo-4-(4-iodobutoxy)butane
SMILESICCCCOCCCCI
InChIInChI=1S/C8H16I2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKeyRRYYYLVGSFAYCO-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Iodo-4-(iodomethoxy)-butane
CID 14661365
Bis(1-iodobutyl) ether
CID 18979328
1-Iodo-3-(3-iodopropoxy)propane
CID 12683043
1-Butoxy-4-iodobutane
CID 21161771
1,4-Bis(1-iodoethoxy)butane
CID 86108103
4-(4,4-Diiodobutoxy)-1,1-diiodobutane
CID 87477876
1-(2,4-Diiodobutoxy)-2,4-diiodobutane
CID 87477878
1-Iodo-1-(1-iodopentoxy)pentane
CID 87804071
1,3-Bis(3-iodopropoxy)propane
CID 137354773
1-Iodo-1-(2-iodoethoxy)butane
CID 141851602
(1S)-1-iodo-1-(4-iodobutoxy)butane
CID 155144819
1-Ethoxy-2-iodoethane;1-iodobutane;iodomethane
CID 159405735

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(4-iodobutoxy)butane?
The IUPAC name of 1-iodo-4-(4-iodobutoxy)butane (CID 602937) is 1-iodo-4-(4-iodobutoxy)butane.
What is the SMILES notation for 1-iodo-4-(4-iodobutoxy)butane?
The canonical SMILES for 1-iodo-4-(4-iodobutoxy)butane is ICCCCOCCCCI.
What is the InChIKey of 1-iodo-4-(4-iodobutoxy)butane?
The InChIKey is RRYYYLVGSFAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2.
What are the key properties of 1-iodo-4-(4-iodobutoxy)butane?
1-iodo-4-(4-iodobutoxy)butane has a molecular weight of 382.02 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(4-iodobutoxy)butane is sourced from PubChem (CID 602937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).