5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C19H26O4Te — CID 134867598

IUPAC5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C2C=C(C(C)(C)C)[Te]C(C(C)(C)C)=C2)C(=O)O1
InChIInChI=1S/C19H26O4Te/c1-17(2,3)12-9-11(10-13(24-12)18(4,5)6)14-15(20)22-19(7,8)23-16(14)21/h9-10H,1-8H3
InChIKeyYRBOBNGZNZLZAV-UHFFFAOYSA-N
MW446.01 g/mol
LogP3.70
Rot. Bonds

About 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 134867598) has the molecular formula C19H26O4Te and a molecular weight of 446.01 g/mol. Its IUPAC name is 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID134867598
Molecular FormulaC19H26O4Te
Molecular Weight446.01 g/mol
Exact Mass448.09
IUPAC Name5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C2C=C(C(C)(C)C)[Te]C(C(C)(C)C)=C2)C(=O)O1
InChIInChI=1S/C19H26O4Te/c1-17(2,3)12-9-11(10-13(24-12)18(4,5)6)14-15(20)22-19(7,8)23-16(14)21/h9-10H,1-8H3
InChIKeyYRBOBNGZNZLZAV-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.01
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-5-propylidene-1,3-dioxane-4,6-dione
CID 12659536
5-[4-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-fluorocyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 59422632
2,2-Dimethyl-5-(phenylmethylidene)-1,3-dioxane-4,6-dione;yttrium
CID 134832258
CID 134971871
CID 134971871
5-[(1E,3E,5E)-7-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hepta-1,3,5-trienyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 22976727
5-(2,6-Dimethylpyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 23534373
2,2-Dimethyl-5-(4-methylpent-3-en-2-ylidene)-1,3-dioxane-4,6-dione
CID 54302564
5-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 57553725
5-[5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 57553758
5-[7-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hepta-1,3,5-trienyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 59043307
5-[(3E)-7-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hepta-3,5-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 90907354
5-[5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione
CID 91228105

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 134867598) is 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=C2C=C(C(C)(C)C)[Te]C(C(C)(C)C)=C2)C(=O)O1.
What is the InChIKey of 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is YRBOBNGZNZLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4Te/c1-17(2,3)12-9-11(10-13(24-12)18(4,5)6)14-15(20)22-19(7,8)23-16(14)21/h9-10H,1-8H3.
What are the key properties of 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 446.01 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-ditert-butyltelluropyran-4-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 134867598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).