1,2-diiodo-3-methylcyclopentane

C6H10I2 — CID 149209200

IUPAC1,2-diiodo-3-methylcyclopentane
SMILESCC1CCC(I)C1I
InChIInChI=1S/C6H10I2/c1-4-2-3-5(7)6(4)8/h4-6H,2-3H2,1H3
InChIKeyXGFXWZDIKXUEFD-UHFFFAOYSA-N
MW335.95 g/mol
LogP3.02
Rot. Bonds

About 1,2-diiodo-3-methylcyclopentane

1,2-diiodo-3-methylcyclopentane (PubChem CID 149209200) has the molecular formula C6H10I2 and a molecular weight of 335.95 g/mol. Its IUPAC name is 1,2-diiodo-3-methylcyclopentane.

Molecular Properties

Compound Name1,2-diiodo-3-methylcyclopentane
PubChem CID149209200
Molecular FormulaC6H10I2
Molecular Weight335.95 g/mol
Exact Mass335.89
IUPAC Name1,2-diiodo-3-methylcyclopentane
SMILESCC1CCC(I)C1I
InChIInChI=1S/C6H10I2/c1-4-2-3-5(7)6(4)8/h4-6H,2-3H2,1H3
InChIKeyXGFXWZDIKXUEFD-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.95
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

1,2,3-triiodocyclopentane
CID 122583562
2-iodo-5-methylbicyclo[4.2.2]decane
CID 167187390
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
1-iodo-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 122679457
1,3-diiodo-2-methylcyclohexane
CID 146238386
1-iodo-2-methylcyclohexane
CID 527569
cis-(1S,4R)-1-iodo-3,4-dimethyl-2-(5-methylhexan-2-yl)cyclohexane
CID 142020146
1,2,3,4,7-pentamethylcyclononane
CID 123773414
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 142624044
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-3-methylcyclopentane?
The IUPAC name of 1,2-diiodo-3-methylcyclopentane (CID 149209200) is 1,2-diiodo-3-methylcyclopentane.
What is the SMILES notation for 1,2-diiodo-3-methylcyclopentane?
The canonical SMILES for 1,2-diiodo-3-methylcyclopentane is CC1CCC(I)C1I.
What is the InChIKey of 1,2-diiodo-3-methylcyclopentane?
The InChIKey is XGFXWZDIKXUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I2/c1-4-2-3-5(7)6(4)8/h4-6H,2-3H2,1H3.
What are the key properties of 1,2-diiodo-3-methylcyclopentane?
1,2-diiodo-3-methylcyclopentane has a molecular weight of 335.95 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 1,2-diiodo-3-methylcyclopentane is sourced from PubChem (CID 149209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).