lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride

C10H11Cl2LiMgO5 — CID 134834542

IUPAClithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride
SMILESCCOC(=O)c1[c-]cc(C(=O)OCC)o1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C10H11O5.2ClH.Li.Mg/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2;;;;/h5H,3-4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyDADYUTOHDRJELX-UHFFFAOYSA-L
MW313.35 g/mol
LogP-7.94
Rot. Bonds4

About lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride

lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride (PubChem CID 134834542) has the molecular formula C10H11Cl2LiMgO5 and a molecular weight of 313.35 g/mol. Its IUPAC name is lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride.

Molecular Properties

Compound Namelithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride
PubChem CID134834542
Molecular FormulaC10H11Cl2LiMgO5
Molecular Weight313.35 g/mol
Exact Mass312.00
IUPAC Namelithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride
SMILESCCOC(=O)c1[c-]cc(C(=O)OCC)o1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C10H11O5.2ClH.Li.Mg/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2;;;;/h5H,3-4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyDADYUTOHDRJELX-UHFFFAOYSA-L
XLogP-7.94
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-7.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Acetoxy-6-acetoxymethyl-pyran-2-one
CID 11264614
dimethyl (E)-2-ethoxybut-2-enedioate
CID 118048843
(3,4-Dimethoxy-5-oxo-5h-furan-2-ylidene)acetaldehyde
CID 2747727
(5-(Methoxycarbonyl)2-furyl)magnesium chloride
CID 12163654
dimethyl (Z)-2-ethoxybut-2-enedioate
CID 12652442
lithium;magnesium;ethyl 5-trimethylsilyl-3H-furan-3-ide-2-carboxylate;dichloride
CID 134834622
lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride
CID 134834803
3,4-Diethoxy-5-methylidenefuran-2-one
CID 10330020
Diethyl 2-methoxybut-2-enedioate
CID 15756882
ethyl (Z)-2-acetyloxybut-2-enoate
CID 20347203
4-methoxy-2H-furan-5-one;propan-2-one
CID 22160665
3-(2-Methoxyethoxy)pyran-2-one
CID 53800957

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride?
The IUPAC name of lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride (CID 134834542) is lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride.
What is the SMILES notation for lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride?
The canonical SMILES for lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride is CCOC(=O)c1[c-]cc(C(=O)OCC)o1.[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride?
The InChIKey is DADYUTOHDRJELX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11O5.2ClH.Li.Mg/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2;;;;/h5H,3-4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride?
lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride has a molecular weight of 313.35 g/mol, XLogP of -7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride is sourced from PubChem (CID 134834542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).