dimethyl 5-methoxybenzene-1,3-dicarboxylate

C11H12O5 — CID 4167302

IUPACdimethyl 5-methoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)OC)c1
InChIInChI=1S/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3
InChIKeyXZWYGKPSIBDYDY-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.27
Rot. Bonds3

About dimethyl 5-methoxybenzene-1,3-dicarboxylate

dimethyl 5-methoxybenzene-1,3-dicarboxylate (PubChem CID 4167302) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is dimethyl 5-methoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methoxybenzene-1,3-dicarboxylate
PubChem CID4167302
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namedimethyl 5-methoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)OC)c1
InChIInChI=1S/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3
InChIKeyXZWYGKPSIBDYDY-UHFFFAOYSA-N
XLogP1.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methoxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-methoxybenzene-1,3-dicarboxylate (CID 4167302) is dimethyl 5-methoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-methoxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-methoxybenzene-1,3-dicarboxylate is COC(=O)c1cc(OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-methoxybenzene-1,3-dicarboxylate?
The InChIKey is XZWYGKPSIBDYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3.
What are the key properties of dimethyl 5-methoxybenzene-1,3-dicarboxylate?
dimethyl 5-methoxybenzene-1,3-dicarboxylate has a molecular weight of 224.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 4167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).