2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane

C15H20O8 — CID 176556695

IUPAC2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
SMILESCOC.COC.COC(=O)c1cc(C=O)c(C(=O)O)cc1C=O
InChIInChI=1S/C11H8O6.2C2H6O/c1-17-11(16)9-3-6(4-12)8(10(14)15)2-7(9)5-13;2*1-3-2/h2-5H,1H3,(H,14,15);2*1-2H3
InChIKeySBEBHXCSGRPPHX-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.32
Rot. Bonds4

About 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane

2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane (PubChem CID 176556695) has the molecular formula C15H20O8 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane.

Molecular Properties

Compound Name2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
PubChem CID176556695
Molecular FormulaC15H20O8
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Name2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
SMILESCOC.COC.COC(=O)c1cc(C=O)c(C(=O)O)cc1C=O
InChIInChI=1S/C11H8O6.2C2H6O/c1-17-11(16)9-3-6(4-12)8(10(14)15)2-7(9)5-13;2*1-3-2/h2-5H,1H3,(H,14,15);2*1-2H3
InChIKeySBEBHXCSGRPPHX-UHFFFAOYSA-N
XLogP1.32
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
CID 144983878
4-chloro-2-methoxycarbonylbenzoic acid;methyl 5-chloro-2-formylbenzoate
CID 162051052
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate
CID 145312619
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
2-carbamoyl-5-formylterephthalic acid
CID 89087191
2-formylbenzoic acid;methoxymethane
CID 90858085
methyl 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121

Frequently Asked Questions

What is the IUPAC name of 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane?
The IUPAC name of 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane (CID 176556695) is 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane.
What is the SMILES notation for 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane?
The canonical SMILES for 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane is COC.COC.COC(=O)c1cc(C=O)c(C(=O)O)cc1C=O.
What is the InChIKey of 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane?
The InChIKey is SBEBHXCSGRPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O6.2C2H6O/c1-17-11(16)9-3-6(4-12)8(10(14)15)2-7(9)5-13;2*1-3-2/h2-5H,1H3,(H,14,15);2*1-2H3.
What are the key properties of 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane?
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane has a molecular weight of 328.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane is sourced from PubChem (CID 176556695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).