methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate

C17H16O6 — CID 144983878

IUPACmethoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
SMILESCOC.COC(=O)c1cc2cc(C=O)c(C=O)cc2cc1C=O
InChIInChI=1S/C15H10O5.C2H6O/c1-20-15(19)14-5-10-3-12(7-17)11(6-16)2-9(10)4-13(14)8-18;1-3-2/h2-8H,1H3;1-2H3
InChIKeyVSUTUYRIMBHUBF-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.33
Rot. Bonds4

About methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate

methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate (PubChem CID 144983878) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
PubChem CID144983878
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Namemethoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
SMILESCOC.COC(=O)c1cc2cc(C=O)c(C=O)cc2cc1C=O
InChIInChI=1S/C15H10O5.C2H6O/c1-20-15(19)14-5-10-3-12(7-17)11(6-16)2-9(10)4-13(14)8-18;1-3-2/h2-8H,1H3;1-2H3
InChIKeyVSUTUYRIMBHUBF-UHFFFAOYSA-N
XLogP2.33
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
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-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
methyl 2-fluoro-4-formyl-5-methylbenzoate
CID 90317126
methyl 4-chlorosulfonyl-2-formylbenzoate
CID 145116648
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate?
The IUPAC name of methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate (CID 144983878) is methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate.
What is the SMILES notation for methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate?
The canonical SMILES for methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate is COC.COC(=O)c1cc2cc(C=O)c(C=O)cc2cc1C=O.
What is the InChIKey of methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate?
The InChIKey is VSUTUYRIMBHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.C2H6O/c1-20-15(19)14-5-10-3-12(7-17)11(6-16)2-9(10)4-13(14)8-18;1-3-2/h2-8H,1H3;1-2H3.
What are the key properties of methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate?
methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate is sourced from PubChem (CID 144983878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).