magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride

C14H20MgO4 — CID 174514429

IUPACmagnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
SMILESCC(C)OC(=O)c1ccc(C(=O)OC(C)C)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H18O4.Mg.2H/c1-9(2)17-13(15)11-5-7-12(8-6-11)14(16)18-10(3)4;;;/h5-10H,1-4H3;;;/q;+2;2*-1
InChIKeyONAFEEVLLZSCEY-UHFFFAOYSA-N
MW276.62 g/mol
LogP2.66
Rot. Bonds4

About magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride

magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride (PubChem CID 174514429) has the molecular formula C14H20MgO4 and a molecular weight of 276.62 g/mol. Its IUPAC name is magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride.

Molecular Properties

Compound Namemagnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
PubChem CID174514429
Molecular FormulaC14H20MgO4
Molecular Weight276.62 g/mol
Exact Mass276.12
IUPAC Namemagnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
SMILESCC(C)OC(=O)c1ccc(C(=O)OC(C)C)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H18O4.Mg.2H/c1-9(2)17-13(15)11-5-7-12(8-6-11)14(16)18-10(3)4;;;/h5-10H,1-4H3;;;/q;+2;2*-1
InChIKeyONAFEEVLLZSCEY-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10878303
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CID 54602710
propan-2-yl 4-carbonochloridoylbenzoate
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bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
propan-2-yl 4-(methylsulfanylmethyl)benzoate
CID 78907964
CID 154075850
CID 154075850

Frequently Asked Questions

What is the IUPAC name of magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride?
The IUPAC name of magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride (CID 174514429) is magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride.
What is the SMILES notation for magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride?
The canonical SMILES for magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride is CC(C)OC(=O)c1ccc(C(=O)OC(C)C)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride?
The InChIKey is ONAFEEVLLZSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4.Mg.2H/c1-9(2)17-13(15)11-5-7-12(8-6-11)14(16)18-10(3)4;;;/h5-10H,1-4H3;;;/q;+2;2*-1.
What are the key properties of magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride?
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride has a molecular weight of 276.62 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride is sourced from PubChem (CID 174514429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).