3,6-diiodobicyclo[3.1.1]heptane

C7H10I2 — CID 170185252

IUPAC3,6-diiodobicyclo[3.1.1]heptane
SMILESIC1CC2CC(C1)C2I
InChIInChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2
InChIKeyWGDIVASCJOGFRH-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.02
Rot. Bonds

About 3,6-diiodobicyclo[3.1.1]heptane

3,6-diiodobicyclo[3.1.1]heptane (PubChem CID 170185252) has the molecular formula C7H10I2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 3,6-diiodobicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3,6-diiodobicyclo[3.1.1]heptane
PubChem CID170185252
Molecular FormulaC7H10I2
Molecular Weight347.97 g/mol
Exact Mass347.89
IUPAC Name3,6-diiodobicyclo[3.1.1]heptane
SMILESIC1CC2CC(C1)C2I
InChIInChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2
InChIKeyWGDIVASCJOGFRH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 130334705
1,3-diiodocyclobutane
CID 522914
2-iodoadamantane
CID 584609
1,3-dibromo-5-iodocyclohexane
CID 122583756
1-iodo-3-(iodomethyl)cyclobutane
CID 122661974
2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14026385
2-iodo-3-methylbicyclo[3.1.1]heptane
CID 89418327
(4aS,8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170380
(8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170961
(1R,5S)-3-azoniabicyclo[3.1.0]hexane
CID 23240088
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084

Frequently Asked Questions

What is the IUPAC name of 3,6-diiodobicyclo[3.1.1]heptane?
The IUPAC name of 3,6-diiodobicyclo[3.1.1]heptane (CID 170185252) is 3,6-diiodobicyclo[3.1.1]heptane.
What is the SMILES notation for 3,6-diiodobicyclo[3.1.1]heptane?
The canonical SMILES for 3,6-diiodobicyclo[3.1.1]heptane is IC1CC2CC(C1)C2I.
What is the InChIKey of 3,6-diiodobicyclo[3.1.1]heptane?
The InChIKey is WGDIVASCJOGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2.
What are the key properties of 3,6-diiodobicyclo[3.1.1]heptane?
3,6-diiodobicyclo[3.1.1]heptane has a molecular weight of 347.97 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodobicyclo[3.1.1]heptane is sourced from PubChem (CID 170185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).