dimethyl naphthalene-1,6-dicarboxylate

C14H12O4 — CID 11459190

IUPACdimethyl naphthalene-1,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C14H12O4/c1-17-13(15)10-6-7-11-9(8-10)4-3-5-12(11)14(16)18-2/h3-8H,1-2H3
InChIKeyJZZYEPMPRIJICF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.41
Rot. Bonds2

About dimethyl naphthalene-1,6-dicarboxylate

dimethyl naphthalene-1,6-dicarboxylate (PubChem CID 11459190) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is dimethyl naphthalene-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl naphthalene-1,6-dicarboxylate
PubChem CID11459190
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namedimethyl naphthalene-1,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C14H12O4/c1-17-13(15)10-6-7-11-9(8-10)4-3-5-12(11)14(16)18-2/h3-8H,1-2H3
InChIKeyJZZYEPMPRIJICF-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 6-formamidonaphthalene-1-carboxylate
CID 168651733
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
methyl 5-ethanimidoylnaphthalene-2-carboxylate;(E)-pent-2-ene-2-thiol
CID 176957637
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503

Frequently Asked Questions

What is the IUPAC name of dimethyl naphthalene-1,6-dicarboxylate?
The IUPAC name of dimethyl naphthalene-1,6-dicarboxylate (CID 11459190) is dimethyl naphthalene-1,6-dicarboxylate.
What is the SMILES notation for dimethyl naphthalene-1,6-dicarboxylate?
The canonical SMILES for dimethyl naphthalene-1,6-dicarboxylate is COC(=O)c1ccc2c(C(=O)OC)cccc2c1.
What is the InChIKey of dimethyl naphthalene-1,6-dicarboxylate?
The InChIKey is JZZYEPMPRIJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-17-13(15)10-6-7-11-9(8-10)4-3-5-12(11)14(16)18-2/h3-8H,1-2H3.
What are the key properties of dimethyl naphthalene-1,6-dicarboxylate?
dimethyl naphthalene-1,6-dicarboxylate has a molecular weight of 244.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl naphthalene-1,6-dicarboxylate is sourced from PubChem (CID 11459190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).