1,11-diiodoundecane

C11H22I2 — CID 4060847

IUPAC1,11-diiodoundecane
SMILESICCCCCCCCCCCI
InChIInChI=1S/C11H22I2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKeyWLXPSODYNNSNEQ-UHFFFAOYSA-N
MW408.11 g/mol
LogP5.37
Rot. Bonds10

About 1,11-diiodoundecane

1,11-diiodoundecane (PubChem CID 4060847) has the molecular formula C11H22I2 and a molecular weight of 408.11 g/mol. Its IUPAC name is 1,11-diiodoundecane.

Molecular Properties

Compound Name1,11-diiodoundecane
PubChem CID4060847
Molecular FormulaC11H22I2
Molecular Weight408.11 g/mol
Exact Mass407.98
IUPAC Name1,11-diiodoundecane
SMILESICCCCCCCCCCCI
InChIInChI=1S/C11H22I2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKeyWLXPSODYNNSNEQ-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.11
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-7-iodoheptane
CID 57289617
CID 175765895
CID 175765895
18-iodooctadecan-1-ol
CID 87686548
17-iodoheptadecane-1-thiol
CID 87685972
36-iodohexatriacontan-1-ol
CID 87686395
1-fluoro-12-iodododecane
CID 138596660
17-iodoheptadecan-1-ol
CID 87684669
1-iodohexane;zinc
CID 87180857
1-iodooctane;phosphane
CID 88789975
1-iodotetradecane;phosphane
CID 88696051
magnesium;hydride;1-iodooctane
CID 173319827
4-iodobutylphosphane
CID 89165611

Frequently Asked Questions

What is the IUPAC name of 1,11-diiodoundecane?
The IUPAC name of 1,11-diiodoundecane (CID 4060847) is 1,11-diiodoundecane.
What is the SMILES notation for 1,11-diiodoundecane?
The canonical SMILES for 1,11-diiodoundecane is ICCCCCCCCCCCI.
What is the InChIKey of 1,11-diiodoundecane?
The InChIKey is WLXPSODYNNSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22I2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2.
What are the key properties of 1,11-diiodoundecane?
1,11-diiodoundecane has a molecular weight of 408.11 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-diiodoundecane is sourced from PubChem (CID 4060847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).