(1R,2R)-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 102595563

IUPAC(1R,2R)-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
SMILESCC1=C(C)C2=C3C(=O)OC(=O)C3=C3C(C)=C(C)[Se][C@@]3(C)[C@]2(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/t17-,18-/m1/s1
InChIKeyWXYUFGAPXGCEJO-QZTJIDSGSA-N
MW440.26 g/mol
LogP3.06
Rot. Bonds

About (1R,2R)-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

(1R,2R)-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 102595563) has the molecular formula C18H18O3Se2 and a molecular weight of 440.26 g/mol. Its IUPAC name is (1R,2R)-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 Name(1R,2R)-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 CID102595563
Molecular FormulaC18H18O3Se2
Molecular Weight440.26 g/mol
Exact Mass441.96
IUPAC Name(1R,2R)-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
SMILESCC1=C(C)C2=C3C(=O)OC(=O)C3=C3C(C)=C(C)[Se][C@@]3(C)[C@]2(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/t17-,18-/m1/s1
InChIKeyWXYUFGAPXGCEJO-QZTJIDSGSA-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 (1R,2R)-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

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 (1R,2R)-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 (1R,2R)-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 102595563) is (1R,2R)-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 (1R,2R)-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 (1R,2R)-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][C@@]3(C)[C@]2(C)[Se]1.
What is the InChIKey of (1R,2R)-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-QZTJIDSGSA-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/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-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?
(1R,2R)-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 (1R,2R)-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 102595563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).