2-iodo-5-methylbicyclo[4.2.2]decane

C11H19I — CID 167187390

IUPAC2-iodo-5-methylbicyclo[4.2.2]decane
SMILESCC1CCC(I)C2CCC1CC2
InChIInChI=1S/C11H19I/c1-8-2-7-11(12)10-5-3-9(8)4-6-10/h8-11H,2-7H2,1H3
InChIKeyMSSZJVDKUNUERF-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.03
Rot. Bonds

About 2-iodo-5-methylbicyclo[4.2.2]decane

2-iodo-5-methylbicyclo[4.2.2]decane (PubChem CID 167187390) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-iodo-5-methylbicyclo[4.2.2]decane.

Molecular Properties

Compound Name2-iodo-5-methylbicyclo[4.2.2]decane
PubChem CID167187390
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name2-iodo-5-methylbicyclo[4.2.2]decane
SMILESCC1CCC(I)C2CCC1CC2
InChIInChI=1S/C11H19I/c1-8-2-7-11(12)10-5-3-9(8)4-6-10/h8-11H,2-7H2,1H3
InChIKeyMSSZJVDKUNUERF-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.03
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-diiodo-3-methylcyclopentane
CID 149209200
1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 142624044
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
1-iodo-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 122679457
4-(4-iodo-3-methylcyclohexyl)-2-methylcyclohexane-1-thiol
CID 153363821
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
2-cyclopropyl-1,3-dimethylcyclopentane
CID 154518239
(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147576937
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
CID 169427116
CID 169427116
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
1-iodo-2-methylcyclohexane
CID 527569

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methylbicyclo[4.2.2]decane?
The IUPAC name of 2-iodo-5-methylbicyclo[4.2.2]decane (CID 167187390) is 2-iodo-5-methylbicyclo[4.2.2]decane.
What is the SMILES notation for 2-iodo-5-methylbicyclo[4.2.2]decane?
The canonical SMILES for 2-iodo-5-methylbicyclo[4.2.2]decane is CC1CCC(I)C2CCC1CC2.
What is the InChIKey of 2-iodo-5-methylbicyclo[4.2.2]decane?
The InChIKey is MSSZJVDKUNUERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-8-2-7-11(12)10-5-3-9(8)4-6-10/h8-11H,2-7H2,1H3.
What are the key properties of 2-iodo-5-methylbicyclo[4.2.2]decane?
2-iodo-5-methylbicyclo[4.2.2]decane has a molecular weight of 278.18 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methylbicyclo[4.2.2]decane is sourced from PubChem (CID 167187390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).