1,6-diiodobicyclo[4.1.0]heptane

C7H10I2 — CID 15105130

IUPAC1,6-diiodobicyclo[4.1.0]heptane
SMILESIC12CCCCC1(I)C2
InChIInChI=1S/C7H10I2/c8-6-3-1-2-4-7(6,9)5-6/h1-5H2
InChIKeyQPISHIUIJMGVRX-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.31
Rot. Bonds

About 1,6-diiodobicyclo[4.1.0]heptane

1,6-diiodobicyclo[4.1.0]heptane (PubChem CID 15105130) has the molecular formula C7H10I2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1,6-diiodobicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1,6-diiodobicyclo[4.1.0]heptane
PubChem CID15105130
Molecular FormulaC7H10I2
Molecular Weight347.97 g/mol
Exact Mass347.89
IUPAC Name1,6-diiodobicyclo[4.1.0]heptane
SMILESIC12CCCCC1(I)C2
InChIInChI=1S/C7H10I2/c8-6-3-1-2-4-7(6,9)5-6/h1-5H2
InChIKeyQPISHIUIJMGVRX-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.31
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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Related Compounds

1-iodocyclotridecan-1-amine
CID 134396656
dispiro[2.1.45.23]undecane
CID 123654868
2,2-diiodocyclohexane-1,1-diamine
CID 174265228
spiro[4.4]nonane
CID 90780660
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
2,2-dibromospiro[2.5]octane
CID 13462187
(1S,7R)-bicyclo[5.1.0]octane-1,7-diol
CID 102015528
11-oxadispiro[2.0.64.13]undecane
CID 24976266
cyclohexane-1,1-diol;methanol
CID 159463727
[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
CID 19897960

Frequently Asked Questions

What is the IUPAC name of 1,6-diiodobicyclo[4.1.0]heptane?
The IUPAC name of 1,6-diiodobicyclo[4.1.0]heptane (CID 15105130) is 1,6-diiodobicyclo[4.1.0]heptane.
What is the SMILES notation for 1,6-diiodobicyclo[4.1.0]heptane?
The canonical SMILES for 1,6-diiodobicyclo[4.1.0]heptane is IC12CCCCC1(I)C2.
What is the InChIKey of 1,6-diiodobicyclo[4.1.0]heptane?
The InChIKey is QPISHIUIJMGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2/c8-6-3-1-2-4-7(6,9)5-6/h1-5H2.
What are the key properties of 1,6-diiodobicyclo[4.1.0]heptane?
1,6-diiodobicyclo[4.1.0]heptane has a molecular weight of 347.97 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diiodobicyclo[4.1.0]heptane is sourced from PubChem (CID 15105130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).