(1S)-1,5-diiodocyclododecane

C12H22I2 — CID 118632109

IUPAC(1S)-1,5-diiodocyclododecane
SMILESIC1CCCCCCC[C@H](I)CCC1
InChIInChI=1S/C12H22I2/c13-11-7-4-2-1-3-5-8-12(14)10-6-9-11/h11-12H,1-10H2/t11-,12?/m0/s1
InChIKeyZNGOHPRNPMPGQG-PXYINDEMSA-N
MW420.12 g/mol
LogP5.51
Rot. Bonds

About (1S)-1,5-diiodocyclododecane

(1S)-1,5-diiodocyclododecane (PubChem CID 118632109) has the molecular formula C12H22I2 and a molecular weight of 420.12 g/mol. Its IUPAC name is (1S)-1,5-diiodocyclododecane.

Molecular Properties

Compound Name(1S)-1,5-diiodocyclododecane
PubChem CID118632109
Molecular FormulaC12H22I2
Molecular Weight420.12 g/mol
Exact Mass419.98
IUPAC Name(1S)-1,5-diiodocyclododecane
SMILESIC1CCCCCCC[C@H](I)CCC1
InChIInChI=1S/C12H22I2/c13-11-7-4-2-1-3-5-8-12(14)10-6-9-11/h11-12H,1-10H2/t11-,12?/m0/s1
InChIKeyZNGOHPRNPMPGQG-PXYINDEMSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1S)-1,5-diiodocyclododecane?
The IUPAC name of (1S)-1,5-diiodocyclododecane (CID 118632109) is (1S)-1,5-diiodocyclododecane.
What is the SMILES notation for (1S)-1,5-diiodocyclododecane?
The canonical SMILES for (1S)-1,5-diiodocyclododecane is IC1CCCCCCC[C@H](I)CCC1.
What is the InChIKey of (1S)-1,5-diiodocyclododecane?
The InChIKey is ZNGOHPRNPMPGQG-PXYINDEMSA-N. The full InChI is InChI=1S/C12H22I2/c13-11-7-4-2-1-3-5-8-12(14)10-6-9-11/h11-12H,1-10H2/t11-,12?/m0/s1.
What are the key properties of (1S)-1,5-diiodocyclododecane?
(1S)-1,5-diiodocyclododecane has a molecular weight of 420.12 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,5-diiodocyclododecane is sourced from PubChem (CID 118632109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).