CID 170843740

C4H10MgO5 — CID 170843740

IUPAC—
SMILESCOC(=O)OC(=O)OC.[H][H].[H][H].[Mg]
InChIInChI=1S/C4H6O5.Mg.2H2/c1-7-3(5)9-4(6)8-2;;;/h1-2H3;;2*1H
InChIKeyNGZXOWRRRCROLZ-UHFFFAOYSA-N
MW162.42 g/mol
LogP0.65
Rot. Bonds

About CID 170843740

CID 170843740 (PubChem CID 170843740) has the molecular formula C4H10MgO5 and a molecular weight of 162.42 g/mol.

Molecular Properties

Compound NameCID 170843740
PubChem CID170843740
Molecular FormulaC4H10MgO5
Molecular Weight162.42 g/mol
Exact Mass162.04
IUPAC Name—
SMILESCOC(=O)OC(=O)OC.[H][H].[H][H].[Mg]
InChIInChI=1S/C4H6O5.Mg.2H2/c1-7-3(5)9-4(6)8-2;;;/h1-2H3;;2*1H
InChIKeyNGZXOWRRRCROLZ-UHFFFAOYSA-N
XLogP0.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170843740?
The IUPAC name of CID 170843740 (CID 170843740) is not available.
What is the SMILES notation for CID 170843740?
The canonical SMILES for CID 170843740 is COC(=O)OC(=O)OC.[H][H].[H][H].[Mg].
What is the InChIKey of CID 170843740?
The InChIKey is NGZXOWRRRCROLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.Mg.2H2/c1-7-3(5)9-4(6)8-2;;;/h1-2H3;;2*1H.
What are the key properties of CID 170843740?
CID 170843740 has a molecular weight of 162.42 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170843740 is sourced from PubChem (CID 170843740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).