1,2,11-triiodoundecane

C11H21I3 — CID 19808234

IUPAC1,2,11-triiodoundecane
SMILESICCCCCCCCCC(I)CI
InChIInChI=1S/C11H21I3/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11H,1-10H2
InChIKeyMCADOHOONYHLNC-UHFFFAOYSA-N
MW534.00 g/mol
LogP5.78
Rot. Bonds10

About 1,2,11-triiodoundecane

1,2,11-triiodoundecane (PubChem CID 19808234) has the molecular formula C11H21I3 and a molecular weight of 534.00 g/mol. Its IUPAC name is 1,2,11-triiodoundecane.

Molecular Properties

Compound Name1,2,11-triiodoundecane
PubChem CID19808234
Molecular FormulaC11H21I3
Molecular Weight534.00 g/mol
Exact Mass533.88
IUPAC Name1,2,11-triiodoundecane
SMILESICCCCCCCCCC(I)CI
InChIInChI=1S/C11H21I3/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11H,1-10H2
InChIKeyMCADOHOONYHLNC-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.00
LogP ≤ 55.78
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

5,6-diiodohexan-1-ol
CID 18920916
1,8-diiodononane
CID 168864675
(1R)-1,11-diiodoundecan-1-amine
CID 138602869
1,7-diiodooctane
CID 168864689
(2R)-1,2-diiodohexane
CID 118680674
1,11-diiodoundecane
CID 4060847
(Z)-1,2-diiodooctadec-9-ene
CID 175474976
1-iodo-21-methyldocosane
CID 140840720
1,3-diiodononane
CID 168864693
3,9-diiodonon-1-ene-1,1,2-triol
CID 118276205
(2S)-8-iodooctan-2-ol
CID 139766789
7-(4-iodobutyl)tridecane
CID 155905887

Frequently Asked Questions

What is the IUPAC name of 1,2,11-triiodoundecane?
The IUPAC name of 1,2,11-triiodoundecane (CID 19808234) is 1,2,11-triiodoundecane.
What is the SMILES notation for 1,2,11-triiodoundecane?
The canonical SMILES for 1,2,11-triiodoundecane is ICCCCCCCCCC(I)CI.
What is the InChIKey of 1,2,11-triiodoundecane?
The InChIKey is MCADOHOONYHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21I3/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11H,1-10H2.
What are the key properties of 1,2,11-triiodoundecane?
1,2,11-triiodoundecane has a molecular weight of 534.00 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,11-triiodoundecane is sourced from PubChem (CID 19808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).