4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))

C20H14O12Rb4 — CID 90474756

IUPAC4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))
SMILESC=O.C=O.C=O.C=O.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2C(=O)[O-])c(C(=O)[O-])c1.[Rb+].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C16H10O8.4CH2O.4Rb/c17-13(18)7-1-3-9(11(5-7)15(21)22)10-4-2-8(14(19)20)6-12(10)16(23)24;4*1-2;;;;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);4*1H2;;;;/q;;;;;4*+1/p-4
InChIKeyIJXZAUWGTQGRPL-UHFFFAOYSA-J
MW788.19 g/mol
LogP-15.92
Rot. Bonds5

About 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))

4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)) (PubChem CID 90474756) has the molecular formula C20H14O12Rb4 and a molecular weight of 788.19 g/mol. Its IUPAC name is 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)).

Molecular Properties

Compound Name4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))
PubChem CID90474756
Molecular FormulaC20H14O12Rb4
Molecular Weight788.19 g/mol
Exact Mass785.70
IUPAC Name4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))
SMILESC=O.C=O.C=O.C=O.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2C(=O)[O-])c(C(=O)[O-])c1.[Rb+].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C16H10O8.4CH2O.4Rb/c17-13(18)7-1-3-9(11(5-7)15(21)22)10-4-2-8(14(19)20)6-12(10)16(23)24;4*1-2;;;;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);4*1H2;;;;/q;;;;;4*+1/p-4
InChIKeyIJXZAUWGTQGRPL-UHFFFAOYSA-J
XLogP-15.92
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.19
LogP ≤ 5-15.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

benzene;benzene-1,2,4-tricarboxylate
CID 19097982
disodium;4-carboxybenzene-1,3-dicarboxylate
CID 70295725
azulene-1,3-dicarboxylate
CID 140764257
4-(4-carboxylato-2-methylphenyl)-3-methylbenzoate
CID 22358461
2-iodoterephthalate
CID 23436472
4-sulfobenzene-1,3-dicarboxylate
CID 22460158
benzene-1,2,4-tricarboxylate;tris(1H-pyrrol-1-ium)
CID 141107559
disodium;ethene;terephthalate
CID 175257755
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
terephthalate;vanadium(4+)
CID 157213578
dilithium;terephthalate
CID 14361651

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))?
The IUPAC name of 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)) (CID 90474756) is 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)).
What is the SMILES notation for 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))?
The canonical SMILES for 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)) is C=O.C=O.C=O.C=O.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2C(=O)[O-])c(C(=O)[O-])c1.[Rb+].[Rb+].[Rb+].[Rb+].
What is the InChIKey of 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))?
The InChIKey is IJXZAUWGTQGRPL-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H10O8.4CH2O.4Rb/c17-13(18)7-1-3-9(11(5-7)15(21)22)10-4-2-8(14(19)20)6-12(10)16(23)24;4*1-2;;;;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);4*1H2;;;;/q;;;;;4*+1/p-4.
What are the key properties of 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))?
4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)) has a molecular weight of 788.19 g/mol, XLogP of -15.92, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+)) is sourced from PubChem (CID 90474756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).