diethyl 7-methylnaphthalene-1,3-dicarboxylate

C17H18O4 — CID 11323625

IUPACdiethyl 7-methylnaphthalene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c2cc(C)ccc2c1
InChIInChI=1S/C17H18O4/c1-4-20-16(18)13-9-12-7-6-11(3)8-14(12)15(10-13)17(19)21-5-2/h6-10H,4-5H2,1-3H3
InChIKeyGYJTUWAHMIVAFD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.50
Rot. Bonds4

About diethyl 7-methylnaphthalene-1,3-dicarboxylate

diethyl 7-methylnaphthalene-1,3-dicarboxylate (PubChem CID 11323625) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is diethyl 7-methylnaphthalene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-methylnaphthalene-1,3-dicarboxylate
PubChem CID11323625
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namediethyl 7-methylnaphthalene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c2cc(C)ccc2c1
InChIInChI=1S/C17H18O4/c1-4-20-16(18)13-9-12-7-6-11(3)8-14(12)15(10-13)17(19)21-5-2/h6-10H,4-5H2,1-3H3
InChIKeyGYJTUWAHMIVAFD-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
CID 135069331
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
ethyl 4-hydroxy-6-methylsulfanylnaphthalene-2-carboxylate
CID 73013817
ethyl 2-(4-bromobenzoyl)-6-methylquinoline-4-carboxylate
CID 164676431
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 3,6-dimethylisoquinoline-4-carboxylate
CID 132578243
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612

Frequently Asked Questions

What is the IUPAC name of diethyl 7-methylnaphthalene-1,3-dicarboxylate?
The IUPAC name of diethyl 7-methylnaphthalene-1,3-dicarboxylate (CID 11323625) is diethyl 7-methylnaphthalene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 7-methylnaphthalene-1,3-dicarboxylate?
The canonical SMILES for diethyl 7-methylnaphthalene-1,3-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c2cc(C)ccc2c1.
What is the InChIKey of diethyl 7-methylnaphthalene-1,3-dicarboxylate?
The InChIKey is GYJTUWAHMIVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-4-20-16(18)13-9-12-7-6-11(3)8-14(12)15(10-13)17(19)21-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of diethyl 7-methylnaphthalene-1,3-dicarboxylate?
diethyl 7-methylnaphthalene-1,3-dicarboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-methylnaphthalene-1,3-dicarboxylate is sourced from PubChem (CID 11323625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).