diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate

C14H18O5 — CID 141473681

IUPACdiethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(COC)cc1C(=O)OCC
InChIInChI=1S/C14H18O5/c1-4-18-13(15)11-7-6-10(9-17-3)8-12(11)14(16)19-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyQGVZLMWXEAIZAT-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.19
Rot. Bonds6

About diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate

diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate (PubChem CID 141473681) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
PubChem CID141473681
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namediethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(COC)cc1C(=O)OCC
InChIInChI=1S/C14H18O5/c1-4-18-13(15)11-7-6-10(9-17-3)8-12(11)14(16)19-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyQGVZLMWXEAIZAT-UHFFFAOYSA-N
XLogP2.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxycarbonyl-5-ethylbenzoyl)oxyacetic acid
CID 101299980
2-(2-ethoxycarbonyl-4-ethylbenzoyl)oxyacetic acid
CID 101299981
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
ethyl 2-amino-5-(ethoxymethyl)benzoate
CID 79071040
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
2-O-ethyl 1-O-(4-methylpentyl) 4-ethylbenzene-1,2-dicarboxylate
CID 23502447
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 2-bromo-5-ethylbenzoate
CID 91882232
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 4-(chloromethyl)-2-(3-chloropropanoyl)benzoate
CID 134649219

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate (CID 141473681) is diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate is CCOC(=O)c1ccc(COC)cc1C(=O)OCC.
What is the InChIKey of diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate?
The InChIKey is QGVZLMWXEAIZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-18-13(15)11-7-6-10(9-17-3)8-12(11)14(16)19-5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate?
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate is sourced from PubChem (CID 141473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).