methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione

C21H20O4 — CID 158660915

IUPACmethane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
SMILESC.Cc1cc(C)c2oc(=O)c3c4cc(C)cc(C)c4oc(=O)c3c2c1
InChIInChI=1S/C20H16O4.CH4/c1-9-5-11(3)17-13(7-9)15-16(20(22)23-17)14-8-10(2)6-12(4)18(14)24-19(15)21;/h5-8H,1-4H3;1H4
InChIKeyICTBIVWEQFMMTJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.92
Rot. Bonds

About methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione

methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione (PubChem CID 158660915) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione.

Molecular Properties

Compound Namemethane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
PubChem CID158660915
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Namemethane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
SMILESC.Cc1cc(C)c2oc(=O)c3c4cc(C)cc(C)c4oc(=O)c3c2c1
InChIInChI=1S/C20H16O4.CH4/c1-9-5-11(3)17-13(7-9)15-16(20(22)23-17)14-8-10(2)6-12(4)18(14)24-19(15)21;/h5-8H,1-4H3;1H4
InChIKeyICTBIVWEQFMMTJ-UHFFFAOYSA-N
XLogP4.92
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione?
The IUPAC name of methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione (CID 158660915) is methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione.
What is the SMILES notation for methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione?
The canonical SMILES for methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione is C.Cc1cc(C)c2oc(=O)c3c4cc(C)cc(C)c4oc(=O)c3c2c1.
What is the InChIKey of methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione?
The InChIKey is ICTBIVWEQFMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4.CH4/c1-9-5-11(3)17-13(7-9)15-16(20(22)23-17)14-8-10(2)6-12(4)18(14)24-19(15)21;/h5-8H,1-4H3;1H4.
What are the key properties of methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione?
methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione has a molecular weight of 336.39 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione is sourced from PubChem (CID 158660915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).