tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate

C23H26O9 — CID 11733003

IUPACtetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)c2cc(OC)ccc2c1C(=O)OCC
InChIInChI=1S/C23H26O9/c1-6-29-20(24)16-14-11-10-13(28-5)12-15(14)17(21(25)30-7-2)19(23(27)32-9-4)18(16)22(26)31-8-3/h10-12H,6-9H2,1-5H3
InChIKeyCREFFISJHPYNBI-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.56
Rot. Bonds9

About tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate

tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate (PubChem CID 11733003) has the molecular formula C23H26O9 and a molecular weight of 446.45 g/mol. Its IUPAC name is tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
PubChem CID11733003
Molecular FormulaC23H26O9
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Nametetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)c2cc(OC)ccc2c1C(=O)OCC
InChIInChI=1S/C23H26O9/c1-6-29-20(24)16-14-11-10-13(28-5)12-15(14)17(21(25)30-7-2)19(23(27)32-9-4)18(16)22(26)31-8-3/h10-12H,6-9H2,1-5H3
InChIKeyCREFFISJHPYNBI-UHFFFAOYSA-N
XLogP3.56
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
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ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
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CID 66702634
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate?
The IUPAC name of tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate (CID 11733003) is tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate is CCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)c2cc(OC)ccc2c1C(=O)OCC.
What is the InChIKey of tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate?
The InChIKey is CREFFISJHPYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O9/c1-6-29-20(24)16-14-11-10-13(28-5)12-15(14)17(21(25)30-7-2)19(23(27)32-9-4)18(16)22(26)31-8-3/h10-12H,6-9H2,1-5H3.
What are the key properties of tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate?
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate has a molecular weight of 446.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 11733003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).