1-chloro-6-iodo-1-methylcycloundecane

C12H22ClI — CID 170100175

IUPAC1-chloro-6-iodo-1-methylcycloundecane
SMILESCC1(Cl)CCCCCC(I)CCCC1
InChIInChI=1S/C12H22ClI/c1-12(13)9-5-2-3-7-11(14)8-4-6-10-12/h11H,2-10H2,1H3
InChIKeyAMAFSNUEGBIMHR-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.31
Rot. Bonds

About 1-chloro-6-iodo-1-methylcycloundecane

1-chloro-6-iodo-1-methylcycloundecane (PubChem CID 170100175) has the molecular formula C12H22ClI and a molecular weight of 328.67 g/mol. Its IUPAC name is 1-chloro-6-iodo-1-methylcycloundecane.

Molecular Properties

Compound Name1-chloro-6-iodo-1-methylcycloundecane
PubChem CID170100175
Molecular FormulaC12H22ClI
Molecular Weight328.67 g/mol
Exact Mass328.05
IUPAC Name1-chloro-6-iodo-1-methylcycloundecane
SMILESCC1(Cl)CCCCCC(I)CCCC1
InChIInChI=1S/C12H22ClI/c1-12(13)9-5-2-3-7-11(14)8-4-6-10-12/h11H,2-10H2,1H3
InChIKeyAMAFSNUEGBIMHR-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.31
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 1-chloro-6-iodo-1-methylcycloundecane?
The IUPAC name of 1-chloro-6-iodo-1-methylcycloundecane (CID 170100175) is 1-chloro-6-iodo-1-methylcycloundecane.
What is the SMILES notation for 1-chloro-6-iodo-1-methylcycloundecane?
The canonical SMILES for 1-chloro-6-iodo-1-methylcycloundecane is CC1(Cl)CCCCCC(I)CCCC1.
What is the InChIKey of 1-chloro-6-iodo-1-methylcycloundecane?
The InChIKey is AMAFSNUEGBIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClI/c1-12(13)9-5-2-3-7-11(14)8-4-6-10-12/h11H,2-10H2,1H3.
What are the key properties of 1-chloro-6-iodo-1-methylcycloundecane?
1-chloro-6-iodo-1-methylcycloundecane has a molecular weight of 328.67 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-iodo-1-methylcycloundecane is sourced from PubChem (CID 170100175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).