12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane

C11H18INO2 — CID 20612036

IUPAC12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
SMILESCC1OC(C)C2OC3CCCN3C2C1I
InChIInChI=1S/C11H18INO2/c1-6-9(12)10-11(7(2)14-6)15-8-4-3-5-13(8)10/h6-11H,3-5H2,1-2H3
InChIKeyUWWXQKBGKWJRFS-UHFFFAOYSA-N
MW323.17 g/mol
LogP1.79
Rot. Bonds

About 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane

12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane (PubChem CID 20612036) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
PubChem CID20612036
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
SMILESCC1OC(C)C2OC3CCCN3C2C1I
InChIInChI=1S/C11H18INO2/c1-6-9(12)10-11(7(2)14-6)15-8-4-3-5-13(8)10/h6-11H,3-5H2,1-2H3
InChIKeyUWWXQKBGKWJRFS-UHFFFAOYSA-N
XLogP1.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane with MolForge

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Related Compounds

bis(9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane);10,12-dimethyl-7,11-dioxa-2-azatricyclo[6.4.0.02,6]dodecane;10,12-dimethyl-7,11-dioxa-2-azatricyclo[6.4.0.02,6]dodecan-9-ol;12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
CID 158717419
10,12-dimethyl-7,11-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
CID 20612041
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
CID 130992749
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
3-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
CID 135070526
3-bromo-1-cycloheptyl-2-methylpiperidine
CID 130934256
(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole
CID 134232910
(3R,3aS)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole
CID 167063305
7-methyl-6-azatricyclo[6.2.1.02,6]undecane
CID 45098495

Frequently Asked Questions

What is the IUPAC name of 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane (CID 20612036) is 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane is CC1OC(C)C2OC3CCCN3C2C1I.
What is the InChIKey of 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane?
The InChIKey is UWWXQKBGKWJRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO2/c1-6-9(12)10-11(7(2)14-6)15-8-4-3-5-13(8)10/h6-11H,3-5H2,1-2H3.
What are the key properties of 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane?
12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane has a molecular weight of 323.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-iodo-9,11-dimethyl-7,10-dioxa-2-azatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 20612036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).