dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate

C16H16O4 — CID 151167949

IUPACdimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
SMILESCOC(=O)c1c(C)c(C)c2ccccc2c1C(=O)OC
InChIInChI=1S/C16H16O4/c1-9-10(2)13(15(17)19-3)14(16(18)20-4)12-8-6-5-7-11(9)12/h5-8H,1-4H3
InChIKeyNBQWUGLIVQVFLX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds2

About dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate

dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate (PubChem CID 151167949) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
PubChem CID151167949
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namedimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
SMILESCOC(=O)c1c(C)c(C)c2ccccc2c1C(=O)OC
InChIInChI=1S/C16H16O4/c1-9-10(2)13(15(17)19-3)14(16(18)20-4)12-8-6-5-7-11(9)12/h5-8H,1-4H3
InChIKeyNBQWUGLIVQVFLX-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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dimethyl 4-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-3-methylnaphthalene-1,2-dicarboxylate
CID 51050964
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
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methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
CID 132525931
methyl acridine-9-carboxylate
CID 21211
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
dimethyl 1-oxoisochromene-3,4-dicarboxylate
CID 642350

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate (CID 151167949) is dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate is COC(=O)c1c(C)c(C)c2ccccc2c1C(=O)OC.
What is the InChIKey of dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate?
The InChIKey is NBQWUGLIVQVFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-9-10(2)13(15(17)19-3)14(16(18)20-4)12-8-6-5-7-11(9)12/h5-8H,1-4H3.
What are the key properties of dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate?
dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate has a molecular weight of 272.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate is sourced from PubChem (CID 151167949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).