1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione

C18H18O3Se2 — CID 14660602

IUPAC1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione
SMILESCC1=C(C)C2=C3C(=O)OC(=O)C3=C3C(C)=C(C)[Se]C3(C)C2(C)[Se]1
InChIInChI=1S/C18H18O3Se2/c1-7-9(3)22-17(5)13(7)11-12(16(20)21-15(11)19)14-8(2)10(4)23-18(14,17)6/h1-6H3
InChIKeyWXYUFGAPXGCEJO-UHFFFAOYSA-N
MW440.26 g/mol
LogP3.06
Rot. Bonds

About 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione

1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione (PubChem CID 14660602) has the molecular formula C18H18O3Se2 and a molecular weight of 440.26 g/mol. Its IUPAC name is 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione.

Molecular Properties

Compound Name1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione
PubChem CID14660602
Molecular FormulaC18H18O3Se2
Molecular Weight440.26 g/mol
Exact Mass441.96
IUPAC Name1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione
SMILESCC1=C(C)C2=C3C(=O)OC(=O)C3=C3C(C)=C(C)[Se]C3(C)C2(C)[Se]1
InChIInChI=1S/C18H18O3Se2/c1-7-9(3)22-17(5)13(7)11-12(16(20)21-15(11)19)14-8(2)10(4)23-18(14,17)6/h1-6H3
InChIKeyWXYUFGAPXGCEJO-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione?
The IUPAC name of 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione (CID 14660602) is 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione.
What is the SMILES notation for 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione?
The canonical SMILES for 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione is CC1=C(C)C2=C3C(=O)OC(=O)C3=C3C(C)=C(C)[Se]C3(C)C2(C)[Se]1.
What is the InChIKey of 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione?
The InChIKey is WXYUFGAPXGCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3Se2/c1-7-9(3)22-17(5)13(7)11-12(16(20)21-15(11)19)14-8(2)10(4)23-18(14,17)6/h1-6H3.
What are the key properties of 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione?
1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione has a molecular weight of 440.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,13,14-hexamethyl-9-oxa-3,15-diselenatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-8,10-dione is sourced from PubChem (CID 14660602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).