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

C8H16I2O — CID 18979328

IUPAC1-iodo-1-(1-iodobutoxy)butane
SMILESCCCC(I)OC(I)CCC
InChIInChI=1S/C8H16I2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZCRVKNBSBYFITC-UHFFFAOYSA-N
MW382.02 g/mol
LogP4.13
Rot. Bonds6

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

1-iodo-1-(1-iodobutoxy)butane (PubChem CID 18979328) has the molecular formula C8H16I2O and a molecular weight of 382.02 g/mol. Its IUPAC name is 1-iodo-1-(1-iodobutoxy)butane.

Molecular Properties

Compound Name1-iodo-1-(1-iodobutoxy)butane
PubChem CID18979328
Molecular FormulaC8H16I2O
Molecular Weight382.02 g/mol
Exact Mass381.93
IUPAC Name1-iodo-1-(1-iodobutoxy)butane
SMILESCCCC(I)OC(I)CCC
InChIInChI=1S/C8H16I2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZCRVKNBSBYFITC-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-iodo-1-(1-iodobutoxy)butane?
The IUPAC name of 1-iodo-1-(1-iodobutoxy)butane (CID 18979328) is 1-iodo-1-(1-iodobutoxy)butane.
What is the SMILES notation for 1-iodo-1-(1-iodobutoxy)butane?
The canonical SMILES for 1-iodo-1-(1-iodobutoxy)butane is CCCC(I)OC(I)CCC.
What is the InChIKey of 1-iodo-1-(1-iodobutoxy)butane?
The InChIKey is ZCRVKNBSBYFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-iodo-1-(1-iodobutoxy)butane?
1-iodo-1-(1-iodobutoxy)butane has a molecular weight of 382.02 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-(1-iodobutoxy)butane is sourced from PubChem (CID 18979328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).