tert-butyl N-ethylcarbamate;iodozinc(1+)

C7H14INO2Zn — CID 11198485

IUPACtert-butyl N-ethylcarbamate;iodozinc(1+)
SMILES[CH2-]CNC(=O)OC(C)(C)C.[Zn+]I
InChIInChI=1S/C7H14NO2.HI.Zn/c1-5-8-6(9)10-7(2,3)4;;/h1,5H2,2-4H3,(H,8,9);1H;/q-1;;+2/p-1
InChIKeyVWZYMAAKOMSPBR-UHFFFAOYSA-M
MW336.49 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-ethylcarbamate;iodozinc(1+)

tert-butyl N-ethylcarbamate;iodozinc(1+) (PubChem CID 11198485) has the molecular formula C7H14INO2Zn and a molecular weight of 336.49 g/mol. Its IUPAC name is tert-butyl N-ethylcarbamate;iodozinc(1+).

Molecular Properties

Compound Nametert-butyl N-ethylcarbamate;iodozinc(1+)
PubChem CID11198485
Molecular FormulaC7H14INO2Zn
Molecular Weight336.49 g/mol
Exact Mass334.94
IUPAC Nametert-butyl N-ethylcarbamate;iodozinc(1+)
SMILES[CH2-]CNC(=O)OC(C)(C)C.[Zn+]I
InChIInChI=1S/C7H14NO2.HI.Zn/c1-5-8-6(9)10-7(2,3)4;;/h1,5H2,2-4H3,(H,8,9);1H;/q-1;;+2/p-1
InChIKeyVWZYMAAKOMSPBR-UHFFFAOYSA-M
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethylcarbamate;iodozinc(1+)?
The IUPAC name of tert-butyl N-ethylcarbamate;iodozinc(1+) (CID 11198485) is tert-butyl N-ethylcarbamate;iodozinc(1+).
What is the SMILES notation for tert-butyl N-ethylcarbamate;iodozinc(1+)?
The canonical SMILES for tert-butyl N-ethylcarbamate;iodozinc(1+) is [CH2-]CNC(=O)OC(C)(C)C.[Zn+]I.
What is the InChIKey of tert-butyl N-ethylcarbamate;iodozinc(1+)?
The InChIKey is VWZYMAAKOMSPBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14NO2.HI.Zn/c1-5-8-6(9)10-7(2,3)4;;/h1,5H2,2-4H3,(H,8,9);1H;/q-1;;+2/p-1.
What are the key properties of tert-butyl N-ethylcarbamate;iodozinc(1+)?
tert-butyl N-ethylcarbamate;iodozinc(1+) has a molecular weight of 336.49 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethylcarbamate;iodozinc(1+) is sourced from PubChem (CID 11198485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).