9-iodotricyclo[6.2.1.02,7]undecane

C11H17I — CID 149048580

IUPAC9-iodotricyclo[6.2.1.02,7]undecane
SMILESIC1CC2CC1C1CCCCC21
InChIInChI=1S/C11H17I/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h7-11H,1-6H2
InChIKeyQJJGAVFPJBQIBI-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.64
Rot. Bonds

About 9-iodotricyclo[6.2.1.02,7]undecane

9-iodotricyclo[6.2.1.02,7]undecane (PubChem CID 149048580) has the molecular formula C11H17I and a molecular weight of 276.16 g/mol. Its IUPAC name is 9-iodotricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name9-iodotricyclo[6.2.1.02,7]undecane
PubChem CID149048580
Molecular FormulaC11H17I
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name9-iodotricyclo[6.2.1.02,7]undecane
SMILESIC1CC2CC1C1CCCCC21
InChIInChI=1S/C11H17I/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h7-11H,1-6H2
InChIKeyQJJGAVFPJBQIBI-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.64
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

(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594
(1S,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 166642246
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 70595713
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-ol
CID 71775317
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
10-methyltetracyclo[7.3.1.02,7.06,11]tridecane
CID 59760764
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996

Frequently Asked Questions

What is the IUPAC name of 9-iodotricyclo[6.2.1.02,7]undecane?
The IUPAC name of 9-iodotricyclo[6.2.1.02,7]undecane (CID 149048580) is 9-iodotricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 9-iodotricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 9-iodotricyclo[6.2.1.02,7]undecane is IC1CC2CC1C1CCCCC21.
What is the InChIKey of 9-iodotricyclo[6.2.1.02,7]undecane?
The InChIKey is QJJGAVFPJBQIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17I/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h7-11H,1-6H2.
What are the key properties of 9-iodotricyclo[6.2.1.02,7]undecane?
9-iodotricyclo[6.2.1.02,7]undecane has a molecular weight of 276.16 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodotricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 149048580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).