dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate

C18H16O7 — CID 162663502

IUPACdimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)C(=O)C(OC)=CC3=O
InChIInChI=1S/C18H16O7/c1-23-14-6-13(19)11-4-9-7-18(16(21)24-2,17(22)25-3)8-10(9)5-12(11)15(14)20/h4-6H,7-8H2,1-3H3
InChIKeyBLIKSRYRXVGXSV-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.03
Rot. Bonds3

About dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate

dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate (PubChem CID 162663502) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
PubChem CID162663502
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Namedimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)C(=O)C(OC)=CC3=O
InChIInChI=1S/C18H16O7/c1-23-14-6-13(19)11-4-9-7-18(16(21)24-2,17(22)25-3)8-10(9)5-12(11)15(14)20/h4-6H,7-8H2,1-3H3
InChIKeyBLIKSRYRXVGXSV-UHFFFAOYSA-N
XLogP1.03
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 6-(N-methylanilino)-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
CID 162655566
7-(hydroxymethyl)-2-methoxynaphthalene-1,4-dione
CID 168745639
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101363600
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
dimethyl 6,9,17,24,27-pentaoxohexacyclo[12.12.1.03,12.05,10.016,25.018,23]heptacosa-3,5(10),7,11,16(25),18,20,22-octaene-1,14-dicarboxylate
CID 15701023
(1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione
CID 11791995
dimethyl 5-oxo-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate
CID 11165142
7-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12,17-tetrone
CID 74052407
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
CID 11269719

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate?
The IUPAC name of dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate (CID 162663502) is dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)C(=O)C(OC)=CC3=O.
What is the InChIKey of dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate?
The InChIKey is BLIKSRYRXVGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-23-14-6-13(19)11-4-9-7-18(16(21)24-2,17(22)25-3)8-10(9)5-12(11)15(14)20/h4-6H,7-8H2,1-3H3.
What are the key properties of dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate?
dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate has a molecular weight of 344.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate is sourced from PubChem (CID 162663502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).