diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate

C22H23NO8 — CID 54137318

IUPACdiethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate
SMILESCCCc1c2oc(C(=O)OCC)cc(=O)c2cc2c(=NOC)cc(C(=O)OCC)oc12
InChIInChI=1S/C22H23NO8/c1-5-8-12-19-13(15(23-27-4)10-17(30-19)21(25)28-6-2)9-14-16(24)11-18(31-20(12)14)22(26)29-7-3/h9-11H,5-8H2,1-4H3
InChIKeyNYQBSYKMSACXNN-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.31
Rot. Bonds7

About diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate

diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate (PubChem CID 54137318) has the molecular formula C22H23NO8 and a molecular weight of 429.43 g/mol. Its IUPAC name is diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate
PubChem CID54137318
Molecular FormulaC22H23NO8
Molecular Weight429.43 g/mol
Exact Mass429.14
IUPAC Namediethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate
SMILESCCCc1c2oc(C(=O)OCC)cc(=O)c2cc2c(=NOC)cc(C(=O)OCC)oc12
InChIInChI=1S/C22H23NO8/c1-5-8-12-19-13(15(23-27-4)10-17(30-19)21(25)28-6-2)9-14-16(24)11-18(31-20(12)14)22(26)29-7-3/h9-11H,5-8H2,1-4H3
InChIKeyNYQBSYKMSACXNN-UHFFFAOYSA-N
XLogP3.31
TPSA117.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate?
The IUPAC name of diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate (CID 54137318) is diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate.
What is the SMILES notation for diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate?
The canonical SMILES for diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate is CCCc1c2oc(C(=O)OCC)cc(=O)c2cc2c(=NOC)cc(C(=O)OCC)oc12.
What is the InChIKey of diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate?
The InChIKey is NYQBSYKMSACXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO8/c1-5-8-12-19-13(15(23-27-4)10-17(30-19)21(25)28-6-2)9-14-16(24)11-18(31-20(12)14)22(26)29-7-3/h9-11H,5-8H2,1-4H3.
What are the key properties of diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate?
diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate has a molecular weight of 429.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate is sourced from PubChem (CID 54137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).