1-iodo-1-(1-iodopentoxy)pentane

C10H20I2O — CID 87804071

IUPAC1-iodo-1-(1-iodopentoxy)pentane
SMILESCCCCC(I)OC(I)CCCC
InChIInChI=1S/C10H20I2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyGYAYEDRVXFODCR-UHFFFAOYSA-N
MW410.08 g/mol
LogP4.91
Rot. Bonds8

About 1-iodo-1-(1-iodopentoxy)pentane

1-iodo-1-(1-iodopentoxy)pentane (PubChem CID 87804071) has the molecular formula C10H20I2O and a molecular weight of 410.08 g/mol. Its IUPAC name is 1-iodo-1-(1-iodopentoxy)pentane.

Molecular Properties

Compound Name1-iodo-1-(1-iodopentoxy)pentane
PubChem CID87804071
Molecular FormulaC10H20I2O
Molecular Weight410.08 g/mol
Exact Mass409.96
IUPAC Name1-iodo-1-(1-iodopentoxy)pentane
SMILESCCCCC(I)OC(I)CCCC
InChIInChI=1S/C10H20I2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyGYAYEDRVXFODCR-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 54.91
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-iodopentoxy)pentane?
The IUPAC name of 1-iodo-1-(1-iodopentoxy)pentane (CID 87804071) is 1-iodo-1-(1-iodopentoxy)pentane.
What is the SMILES notation for 1-iodo-1-(1-iodopentoxy)pentane?
The canonical SMILES for 1-iodo-1-(1-iodopentoxy)pentane is CCCCC(I)OC(I)CCCC.
What is the InChIKey of 1-iodo-1-(1-iodopentoxy)pentane?
The InChIKey is GYAYEDRVXFODCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20I2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-iodo-1-(1-iodopentoxy)pentane?
1-iodo-1-(1-iodopentoxy)pentane has a molecular weight of 410.08 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-(1-iodopentoxy)pentane is sourced from PubChem (CID 87804071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).