methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate

C17H8O6 — CID 145312619

IUPACmethyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate
SMILESCOC(=O)c1cc2c(cc1C=O)c1cc3c(=O)oc(=O)c3cc21
InChIInChI=1S/C17H8O6/c1-22-15(19)8-3-10-9(2-7(8)6-18)11-4-13-14(5-12(10)11)17(21)23-16(13)20/h2-6H,1H3
InChIKeyZWDFWUOIYDFGQL-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.93
Rot. Bonds2

About methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate

methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate (PubChem CID 145312619) has the molecular formula C17H8O6 and a molecular weight of 308.25 g/mol. Its IUPAC name is methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate.

Molecular Properties

Compound Namemethyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate
PubChem CID145312619
Molecular FormulaC17H8O6
Molecular Weight308.25 g/mol
Exact Mass308.03
IUPAC Namemethyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate
SMILESCOC(=O)c1cc2c(cc1C=O)c1cc3c(=O)oc(=O)c3cc21
InChIInChI=1S/C17H8O6/c1-22-15(19)8-3-10-9(2-7(8)6-18)11-4-13-14(5-12(10)11)17(21)23-16(13)20/h2-6H,1H3
InChIKeyZWDFWUOIYDFGQL-UHFFFAOYSA-N
XLogP1.93
TPSA90.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate
CID 135191795
methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
CID 144983878
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate
CID 144649891
methyl 4-chlorosulfonyl-2-formylbenzoate
CID 145116648
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
methyl 5-fluoro-2-oxochromene-3-carboxylate
CID 166609254
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121

Frequently Asked Questions

What is the IUPAC name of methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate?
The IUPAC name of methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate (CID 145312619) is methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate.
What is the SMILES notation for methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate?
The canonical SMILES for methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate is COC(=O)c1cc2c(cc1C=O)c1cc3c(=O)oc(=O)c3cc21.
What is the InChIKey of methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate?
The InChIKey is ZWDFWUOIYDFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8O6/c1-22-15(19)8-3-10-9(2-7(8)6-18)11-4-13-14(5-12(10)11)17(21)23-16(13)20/h2-6H,1H3.
What are the key properties of methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate?
methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate has a molecular weight of 308.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate is sourced from PubChem (CID 145312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).