magnesium;acetaldehyde;chloride

C2H3ClMgO — CID 87677190

IUPACmagnesium;acetaldehyde;chloride
SMILES[CH2-]C=O.[Cl-].[Mg+2]
InChIInChI=1S/C2H3O.ClH.Mg/c1-2-3;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyPHTGNTWHXSUKSO-UHFFFAOYSA-M
MW102.80 g/mol
LogP-3.36
Rot. Bonds

About magnesium;acetaldehyde;chloride

magnesium;acetaldehyde;chloride (PubChem CID 87677190) has the molecular formula C2H3ClMgO and a molecular weight of 102.80 g/mol. Its IUPAC name is magnesium;acetaldehyde;chloride.

Molecular Properties

Compound Namemagnesium;acetaldehyde;chloride
PubChem CID87677190
Molecular FormulaC2H3ClMgO
Molecular Weight102.80 g/mol
Exact Mass101.97
IUPAC Namemagnesium;acetaldehyde;chloride
SMILES[CH2-]C=O.[Cl-].[Mg+2]
InChIInChI=1S/C2H3O.ClH.Mg/c1-2-3;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyPHTGNTWHXSUKSO-UHFFFAOYSA-M
XLogP-3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.80
LogP ≤ 5-3.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;acetaldehyde;chloride?
The IUPAC name of magnesium;acetaldehyde;chloride (CID 87677190) is magnesium;acetaldehyde;chloride.
What is the SMILES notation for magnesium;acetaldehyde;chloride?
The canonical SMILES for magnesium;acetaldehyde;chloride is [CH2-]C=O.[Cl-].[Mg+2].
What is the InChIKey of magnesium;acetaldehyde;chloride?
The InChIKey is PHTGNTWHXSUKSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3O.ClH.Mg/c1-2-3;;/h2H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;acetaldehyde;chloride?
magnesium;acetaldehyde;chloride has a molecular weight of 102.80 g/mol, XLogP of -3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;acetaldehyde;chloride is sourced from PubChem (CID 87677190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).