ethyl(dimethyl)-λ3-iodane

C4H11I — CID 87059731

IUPACethyl(dimethyl)-λ3-iodane
SMILESCCI(C)C
InChIInChI=1S/C4H11I/c1-4-5(2)3/h4H2,1-3H3
InChIKeyKJVHRWADTYLCHI-UHFFFAOYSA-N
MW186.04 g/mol
LogP1.77
Rot. Bonds1

About ethyl(dimethyl)-λ3-iodane

ethyl(dimethyl)-λ3-iodane (PubChem CID 87059731) has the molecular formula C4H11I and a molecular weight of 186.04 g/mol. Its IUPAC name is ethyl(dimethyl)-λ3-iodane.

Molecular Properties

Compound Nameethyl(dimethyl)-λ3-iodane
PubChem CID87059731
Molecular FormulaC4H11I
Molecular Weight186.04 g/mol
Exact Mass185.99
IUPAC Nameethyl(dimethyl)-λ3-iodane
SMILESCCI(C)C
InChIInChI=1S/C4H11I/c1-4-5(2)3/h4H2,1-3H3
InChIKeyKJVHRWADTYLCHI-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 51.77
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

triethyl-λ3-iodane
CID 147422602
dimagnesium;hydride;propane;dibromide
CID 174936076
lithium;sodium;hydride;propane
CID 174672260
barium(2+);butane;hydride
CID 173257350
sodium;butane;hydride
CID 160814139
strontium;bromoethane;hydride
CID 173283070
sodium;ethylsilane;hydride
CID 174841380
potassium;butane;hydride;platinum
CID 173395861
magnesium;hydride;iodoethane
CID 172995056
hydroxysulfanylmethyl(dimethyl)-λ3-iodane
CID 88927852
sodium propane
CID 18410128
propane;ruthenium
CID 161061794

Frequently Asked Questions

What is the IUPAC name of ethyl(dimethyl)-λ3-iodane?
The IUPAC name of ethyl(dimethyl)-λ3-iodane (CID 87059731) is ethyl(dimethyl)-λ3-iodane.
What is the SMILES notation for ethyl(dimethyl)-λ3-iodane?
The canonical SMILES for ethyl(dimethyl)-λ3-iodane is CCI(C)C.
What is the InChIKey of ethyl(dimethyl)-λ3-iodane?
The InChIKey is KJVHRWADTYLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11I/c1-4-5(2)3/h4H2,1-3H3.
What are the key properties of ethyl(dimethyl)-λ3-iodane?
ethyl(dimethyl)-λ3-iodane has a molecular weight of 186.04 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethyl)-λ3-iodane is sourced from PubChem (CID 87059731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).