2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione

C54H44O16 — CID 163236464

IUPAC2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
SMILESCOCC(=O)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)COC)C4=O)cc2C1=O.O=C1c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)C3CCCC3)C4=O)cc2C(=O)C1C(=O)C1CCCC1
InChIInChI=1S/C30H26O7.C24H18O9/c31-25(15-5-1-2-6-15)23-27(33)19-11-9-17(13-21(19)29(23)35)37-18-10-12-20-22(14-18)30(36)24(28(20)34)26(32)16-7-3-4-8-16;1-31-9-17(25)19-21(27)13-5-3-11(7-15(13)23(19)29)33-12-4-6-14-16(8-12)24(30)20(22(14)28)18(26)10-32-2/h9-16,23-24H,1-8H2;3-8,19-20H,9-10H2,1-2H3
InChIKeyFRNWQQRDXJLRAN-UHFFFAOYSA-N
MW948.93 g/mol
LogP6.89
Rot. Bonds14

About 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione

2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione (PubChem CID 163236464) has the molecular formula C54H44O16 and a molecular weight of 948.93 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
PubChem CID163236464
Molecular FormulaC54H44O16
Molecular Weight948.93 g/mol
Exact Mass948.26
IUPAC Name2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
SMILESCOCC(=O)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)COC)C4=O)cc2C1=O.O=C1c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)C3CCCC3)C4=O)cc2C(=O)C1C(=O)C1CCCC1
InChIInChI=1S/C30H26O7.C24H18O9/c31-25(15-5-1-2-6-15)23-27(33)19-11-9-17(13-21(19)29(23)35)37-18-10-12-20-22(14-18)30(36)24(28(20)34)26(32)16-7-3-4-8-16;1-31-9-17(25)19-21(27)13-5-3-11(7-15(13)23(19)29)33-12-4-6-14-16(8-12)24(30)20(22(14)28)18(26)10-32-2/h9-16,23-24H,1-8H2;3-8,19-20H,9-10H2,1-2H3
InChIKeyFRNWQQRDXJLRAN-UHFFFAOYSA-N
XLogP6.89
TPSA241.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.93
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione?
The IUPAC name of 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione (CID 163236464) is 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione?
The canonical SMILES for 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione is COCC(=O)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)COC)C4=O)cc2C1=O.O=C1c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)C3CCCC3)C4=O)cc2C(=O)C1C(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione?
The InChIKey is FRNWQQRDXJLRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O7.C24H18O9/c31-25(15-5-1-2-6-15)23-27(33)19-11-9-17(13-21(19)29(23)35)37-18-10-12-20-22(14-18)30(36)24(28(20)34)26(32)16-7-3-4-8-16;1-31-9-17(25)19-21(27)13-5-3-11(7-15(13)23(19)29)33-12-4-6-14-16(8-12)24(30)20(22(14)28)18(26)10-32-2/h9-16,23-24H,1-8H2;3-8,19-20H,9-10H2,1-2H3.
What are the key properties of 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione?
2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione has a molecular weight of 948.93 g/mol, XLogP of 6.89, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione is sourced from PubChem (CID 163236464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).