potassium 6-methoxycarbonylnaphthalene-2-carboxylate

C13H9KO4 — CID 146050692

IUPACpotassium 6-methoxycarbonylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)[O-])ccc2c1.[K+]
InChIInChI=1S/C13H10O4.K/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11;/h2-7H,1H3,(H,14,15);/q;+1/p-1
InChIKeyULAHZGBWYSVSDP-UHFFFAOYSA-M
MW268.31 g/mol
LogP-2.01
Rot. Bonds2

About potassium 6-methoxycarbonylnaphthalene-2-carboxylate

potassium 6-methoxycarbonylnaphthalene-2-carboxylate (PubChem CID 146050692) has the molecular formula C13H9KO4 and a molecular weight of 268.31 g/mol. Its IUPAC name is potassium 6-methoxycarbonylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namepotassium 6-methoxycarbonylnaphthalene-2-carboxylate
PubChem CID146050692
Molecular FormulaC13H9KO4
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Namepotassium 6-methoxycarbonylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)[O-])ccc2c1.[K+]
InChIInChI=1S/C13H10O4.K/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11;/h2-7H,1H3,(H,14,15);/q;+1/p-1
InChIKeyULAHZGBWYSVSDP-UHFFFAOYSA-M
XLogP-2.01
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
potassium naphthalene-2-carboxylate
CID 23664129
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
methyl 6-(2-cyanoacetyl)naphthalene-2-carboxylate
CID 146356427
anthracene-2-carboxylate
CID 11160355
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304

Frequently Asked Questions

What is the IUPAC name of potassium 6-methoxycarbonylnaphthalene-2-carboxylate?
The IUPAC name of potassium 6-methoxycarbonylnaphthalene-2-carboxylate (CID 146050692) is potassium 6-methoxycarbonylnaphthalene-2-carboxylate.
What is the SMILES notation for potassium 6-methoxycarbonylnaphthalene-2-carboxylate?
The canonical SMILES for potassium 6-methoxycarbonylnaphthalene-2-carboxylate is COC(=O)c1ccc2cc(C(=O)[O-])ccc2c1.[K+].
What is the InChIKey of potassium 6-methoxycarbonylnaphthalene-2-carboxylate?
The InChIKey is ULAHZGBWYSVSDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O4.K/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11;/h2-7H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 6-methoxycarbonylnaphthalene-2-carboxylate?
potassium 6-methoxycarbonylnaphthalene-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of -2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-methoxycarbonylnaphthalene-2-carboxylate is sourced from PubChem (CID 146050692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).