5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone

C21H16O8 — CID 10834548

IUPAC5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone
SMILESCOc1cc2c(cc1OC)C(=O)C1(C2=O)C(=O)c2cc(OC)c(OC)cc2C1=O
InChIInChI=1S/C21H16O8/c1-26-13-5-9-10(6-14(13)27-2)18(23)21(17(9)22)19(24)11-7-15(28-3)16(29-4)8-12(11)20(21)25/h5-8H,1-4H3
InChIKeyJQHUHAWPFFPVTE-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.17
Rot. Bonds4

About 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone

5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone (PubChem CID 10834548) has the molecular formula C21H16O8 and a molecular weight of 396.35 g/mol. Its IUPAC name is 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone.

Molecular Properties

Compound Name5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone
PubChem CID10834548
Molecular FormulaC21H16O8
Molecular Weight396.35 g/mol
Exact Mass396.08
IUPAC Name5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone
SMILESCOc1cc2c(cc1OC)C(=O)C1(C2=O)C(=O)c2cc(OC)c(OC)cc2C1=O
InChIInChI=1S/C21H16O8/c1-26-13-5-9-10(6-14(13)27-2)18(23)21(17(9)22)19(24)11-7-15(28-3)16(29-4)8-12(11)20(21)25/h5-8H,1-4H3
InChIKeyJQHUHAWPFFPVTE-UHFFFAOYSA-N
XLogP2.17
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone?
The IUPAC name of 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone (CID 10834548) is 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone.
What is the SMILES notation for 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone?
The canonical SMILES for 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone is COc1cc2c(cc1OC)C(=O)C1(C2=O)C(=O)c2cc(OC)c(OC)cc2C1=O.
What is the InChIKey of 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone?
The InChIKey is JQHUHAWPFFPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O8/c1-26-13-5-9-10(6-14(13)27-2)18(23)21(17(9)22)19(24)11-7-15(28-3)16(29-4)8-12(11)20(21)25/h5-8H,1-4H3.
What are the key properties of 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone?
5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone has a molecular weight of 396.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone is sourced from PubChem (CID 10834548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).