iodoethane;methanol

C3H9IO — CID 91561254

IUPACiodoethane;methanol
SMILESCCI.CO
InChIInChI=1S/C2H5I.CH4O/c1-2-3;1-2/h2H2,1H3;2H,1H3
InChIKeyMZESYGWOTNJISY-UHFFFAOYSA-N
MW188.01 g/mol
LogP1.05
Rot. Bonds

About iodoethane;methanol

iodoethane;methanol (PubChem CID 91561254) has the molecular formula C3H9IO and a molecular weight of 188.01 g/mol. Its IUPAC name is iodoethane;methanol.

Molecular Properties

Compound Nameiodoethane;methanol
PubChem CID91561254
Molecular FormulaC3H9IO
Molecular Weight188.01 g/mol
Exact Mass187.97
IUPAC Nameiodoethane;methanol
SMILESCCI.CO
InChIInChI=1S/C2H5I.CH4O/c1-2-3;1-2/h2H2,1H3;2H,1H3
InChIKeyMZESYGWOTNJISY-UHFFFAOYSA-N
XLogP1.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodoethane;methanol?
The IUPAC name of iodoethane;methanol (CID 91561254) is iodoethane;methanol.
What is the SMILES notation for iodoethane;methanol?
The canonical SMILES for iodoethane;methanol is CCI.CO.
What is the InChIKey of iodoethane;methanol?
The InChIKey is MZESYGWOTNJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5I.CH4O/c1-2-3;1-2/h2H2,1H3;2H,1H3.
What are the key properties of iodoethane;methanol?
iodoethane;methanol has a molecular weight of 188.01 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;methanol is sourced from PubChem (CID 91561254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).