iodo(1,2-13C2)ethane

C2H5I — CID 10855737

IUPACiodo(1,2-13C2)ethane
SMILES[13CH3][13CH2]I
InChIInChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1+1,2+1
InChIKeyHVTICUPFWKNHNG-ZDOIIHCHSA-N
MW157.95 g/mol
LogP1.44
Rot. Bonds

About iodo(1,2-13C2)ethane

iodo(1,2-13C2)ethane (PubChem CID 10855737) has the molecular formula C2H5I and a molecular weight of 157.95 g/mol. Its IUPAC name is iodo(1,2-13C2)ethane.

Molecular Properties

Compound Nameiodo(1,2-13C2)ethane
PubChem CID10855737
Molecular FormulaC2H5I
Molecular Weight157.95 g/mol
Exact Mass157.95
IUPAC Nameiodo(1,2-13C2)ethane
SMILES[13CH3][13CH2]I
InChIInChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1+1,2+1
InChIKeyHVTICUPFWKNHNG-ZDOIIHCHSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.95
LogP ≤ 51.44
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

argon;iodoethane
CID 22146514
iodoethane;zinc
CID 87126812
magnesium;hydride;iodoethane
CID 172995056
iodoethane;methanol
CID 91561254
iodoethane;pentane
CID 142801861
carbonic acid;iodoethane
CID 161091795
1-iodopropane;zinc
CID 87687648
iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane
CID 173246195
CID 172807183
CID 172807183
diethyl sulfate;iodoethane
CID 157176238
CID 59746073
CID 59746073
propane;triiodoborane
CID 90847751

Frequently Asked Questions

What is the IUPAC name of iodo(1,2-13C2)ethane?
The IUPAC name of iodo(1,2-13C2)ethane (CID 10855737) is iodo(1,2-13C2)ethane.
What is the SMILES notation for iodo(1,2-13C2)ethane?
The canonical SMILES for iodo(1,2-13C2)ethane is [13CH3][13CH2]I.
What is the InChIKey of iodo(1,2-13C2)ethane?
The InChIKey is HVTICUPFWKNHNG-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1+1,2+1.
What are the key properties of iodo(1,2-13C2)ethane?
iodo(1,2-13C2)ethane has a molecular weight of 157.95 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(1,2-13C2)ethane is sourced from PubChem (CID 10855737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).