3-ethyl-9-iodobicyclo[3.3.1]nonane

C11H19I — CID 134444057

IUPAC3-ethyl-9-iodobicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C1)C2I
InChIInChI=1S/C11H19I/c1-2-8-6-9-4-3-5-10(7-8)11(9)12/h8-11H,2-7H2,1H3
InChIKeySAHKZGSXUKXGEW-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.03
Rot. Bonds1

About 3-ethyl-9-iodobicyclo[3.3.1]nonane

3-ethyl-9-iodobicyclo[3.3.1]nonane (PubChem CID 134444057) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-ethyl-9-iodobicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-9-iodobicyclo[3.3.1]nonane
PubChem CID134444057
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name3-ethyl-9-iodobicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C1)C2I
InChIInChI=1S/C11H19I/c1-2-8-6-9-4-3-5-10(7-8)11(9)12/h8-11H,2-7H2,1H3
InChIKeySAHKZGSXUKXGEW-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-cyclopropyl-3-ethylcyclobutane
CID 123813009
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91006589
(3-ethylcyclopentyl)cyclohexane
CID 142208206
3-propylbicyclo[5.1.0]octane
CID 123651402
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
1-ethyl-3-propylcyclohexane
CID 22129036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-iodobicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-9-iodobicyclo[3.3.1]nonane (CID 134444057) is 3-ethyl-9-iodobicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-9-iodobicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-9-iodobicyclo[3.3.1]nonane is CCC1CC2CCCC(C1)C2I.
What is the InChIKey of 3-ethyl-9-iodobicyclo[3.3.1]nonane?
The InChIKey is SAHKZGSXUKXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-2-8-6-9-4-3-5-10(7-8)11(9)12/h8-11H,2-7H2,1H3.
What are the key properties of 3-ethyl-9-iodobicyclo[3.3.1]nonane?
3-ethyl-9-iodobicyclo[3.3.1]nonane has a molecular weight of 278.18 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-iodobicyclo[3.3.1]nonane is sourced from PubChem (CID 134444057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).