5-iodospiro[5.5]undecane

C11H19I — CID 164989917

IUPAC5-iodospiro[5.5]undecane
SMILESIC1CCCCC12CCCCC2
InChIInChI=1S/C11H19I/c12-10-6-2-5-9-11(10)7-3-1-4-8-11/h10H,1-9H2
InChIKeyGRYSSUGSWJTNGS-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.31
Rot. Bonds

About 5-iodospiro[5.5]undecane

5-iodospiro[5.5]undecane (PubChem CID 164989917) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-iodospiro[5.5]undecane.

Molecular Properties

Compound Name5-iodospiro[5.5]undecane
PubChem CID164989917
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name5-iodospiro[5.5]undecane
SMILESIC1CCCCC12CCCCC2
InChIInChI=1S/C11H19I/c12-10-6-2-5-9-11(10)7-3-1-4-8-11/h10H,1-9H2
InChIKeyGRYSSUGSWJTNGS-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

2-iodocyclohexane-1,1-diamine
CID 67664007
1,2-diiodo-1-methoxycycloheptane
CID 134857413
1-fluoro-2-iodo-1-methylcyclohexane
CID 14950746
spiro[5.6]dodecan-12-amine
CID 15021866
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
N-methylspiro[5.5]undecan-5-amine
CID 83906634
spiro[4.5]decan-4-ylsilane
CID 150882370
(8S)-spiro[2.5]octan-8-amine
CID 89147381
3-methylspiro[3.5]nonane
CID 57473010
(8R)-spiro[2.5]octan-8-amine
CID 89147380
(9R)-9-methylspiro[3.5]nonane
CID 140885739
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338

Frequently Asked Questions

What is the IUPAC name of 5-iodospiro[5.5]undecane?
The IUPAC name of 5-iodospiro[5.5]undecane (CID 164989917) is 5-iodospiro[5.5]undecane.
What is the SMILES notation for 5-iodospiro[5.5]undecane?
The canonical SMILES for 5-iodospiro[5.5]undecane is IC1CCCCC12CCCCC2.
What is the InChIKey of 5-iodospiro[5.5]undecane?
The InChIKey is GRYSSUGSWJTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c12-10-6-2-5-9-11(10)7-3-1-4-8-11/h10H,1-9H2.
What are the key properties of 5-iodospiro[5.5]undecane?
5-iodospiro[5.5]undecane has a molecular weight of 278.18 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodospiro[5.5]undecane is sourced from PubChem (CID 164989917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).