diethyl naphthalene-2,3-dicarboxylate

C16H16O4 — CID 4056053

IUPACdiethyl naphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1C(=O)OCC
InChIInChI=1S/C16H16O4/c1-3-19-15(17)13-9-11-7-5-6-8-12(11)10-14(13)16(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyYEHPWDJFRGQQIM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.19
Rot. Bonds4

About diethyl naphthalene-2,3-dicarboxylate

diethyl naphthalene-2,3-dicarboxylate (PubChem CID 4056053) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is diethyl naphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl naphthalene-2,3-dicarboxylate
PubChem CID4056053
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namediethyl naphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1C(=O)OCC
InChIInChI=1S/C16H16O4/c1-3-19-15(17)13-9-11-7-5-6-8-12(11)10-14(13)16(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyYEHPWDJFRGQQIM-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl naphthalene-2,3-dicarboxylate?
The IUPAC name of diethyl naphthalene-2,3-dicarboxylate (CID 4056053) is diethyl naphthalene-2,3-dicarboxylate.
What is the SMILES notation for diethyl naphthalene-2,3-dicarboxylate?
The canonical SMILES for diethyl naphthalene-2,3-dicarboxylate is CCOC(=O)c1cc2ccccc2cc1C(=O)OCC.
What is the InChIKey of diethyl naphthalene-2,3-dicarboxylate?
The InChIKey is YEHPWDJFRGQQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-15(17)13-9-11-7-5-6-8-12(11)10-14(13)16(18)20-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl naphthalene-2,3-dicarboxylate?
diethyl naphthalene-2,3-dicarboxylate has a molecular weight of 272.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl naphthalene-2,3-dicarboxylate is sourced from PubChem (CID 4056053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).