magnesium propyl carbonate

C4H7MgO3+ — CID 22154995

IUPACmagnesium propyl carbonate
SMILESCCCOC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H8O3.Mg/c1-2-3-7-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+2/p-1
InChIKeyQRXFMVNMTKLHGK-UHFFFAOYSA-M
MW127.40 g/mol
LogP-0.62
Rot. Bonds2

About magnesium propyl carbonate

magnesium propyl carbonate (PubChem CID 22154995) has the molecular formula C4H7MgO3+ and a molecular weight of 127.40 g/mol. Its IUPAC name is magnesium propyl carbonate.

Molecular Properties

Compound Namemagnesium propyl carbonate
PubChem CID22154995
Molecular FormulaC4H7MgO3+
Molecular Weight127.40 g/mol
Exact Mass127.02
IUPAC Namemagnesium propyl carbonate
SMILESCCCOC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H8O3.Mg/c1-2-3-7-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+2/p-1
InChIKeyQRXFMVNMTKLHGK-UHFFFAOYSA-M
XLogP-0.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.40
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of magnesium propyl carbonate?
The IUPAC name of magnesium propyl carbonate (CID 22154995) is magnesium propyl carbonate.
What is the SMILES notation for magnesium propyl carbonate?
The canonical SMILES for magnesium propyl carbonate is CCCOC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium propyl carbonate?
The InChIKey is QRXFMVNMTKLHGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3.Mg/c1-2-3-7-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+2/p-1.
What are the key properties of magnesium propyl carbonate?
magnesium propyl carbonate has a molecular weight of 127.40 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium propyl carbonate is sourced from PubChem (CID 22154995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).