1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite

C12H21IO — CID 166866691

IUPAC1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite
SMILESCCC(OI)C1CC2CCCC(C2)C1
InChIInChI=1S/C12H21IO/c1-2-12(14-13)11-7-9-4-3-5-10(6-9)8-11/h9-12H,2-8H2,1H3
InChIKeyVMECBUPQAZNJAE-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.35
Rot. Bonds3

About 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite

1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite (PubChem CID 166866691) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite.

Molecular Properties

Compound Name1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite
PubChem CID166866691
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite
SMILESCCC(OI)C1CC2CCCC(C2)C1
InChIInChI=1S/C12H21IO/c1-2-12(14-13)11-7-9-4-3-5-10(6-9)8-11/h9-12H,2-8H2,1H3
InChIKeyVMECBUPQAZNJAE-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite?
The IUPAC name of 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite (CID 166866691) is 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite.
What is the SMILES notation for 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite?
The canonical SMILES for 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite is CCC(OI)C1CC2CCCC(C2)C1.
What is the InChIKey of 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite?
The InChIKey is VMECBUPQAZNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c1-2-12(14-13)11-7-9-4-3-5-10(6-9)8-11/h9-12H,2-8H2,1H3.
What are the key properties of 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite?
1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite has a molecular weight of 308.20 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite is sourced from PubChem (CID 166866691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).