2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione

C23H34O5Si — CID 44549817

IUPAC2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione
SMILESCC(=C1C(=O)OC(C)(C)OC1=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C23H34O5Si/c1-14(2)29(15(3)4,16(5)6)28-19-12-10-18(11-13-19)17(7)20-21(24)26-23(8,9)27-22(20)25/h10-16H,1-9H3
InChIKeyVKLJMWMHPHGIRF-UHFFFAOYSA-N
MW418.61 g/mol
LogP5.85
Rot. Bonds6

About 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione (PubChem CID 44549817) has the molecular formula C23H34O5Si and a molecular weight of 418.61 g/mol. Its IUPAC name is 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione
PubChem CID44549817
Molecular FormulaC23H34O5Si
Molecular Weight418.61 g/mol
Exact Mass418.22
IUPAC Name2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione
SMILESCC(=C1C(=O)OC(C)(C)OC1=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C23H34O5Si/c1-14(2)29(15(3)4,16(5)6)28-19-12-10-18(11-13-19)17(7)20-21(24)26-23(8,9)27-22(20)25/h10-16H,1-9H3
InChIKeyVKLJMWMHPHGIRF-UHFFFAOYSA-N
XLogP5.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione (CID 44549817) is 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione is CC(=C1C(=O)OC(C)(C)OC1=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione?
The InChIKey is VKLJMWMHPHGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5Si/c1-14(2)29(15(3)4,16(5)6)28-19-12-10-18(11-13-19)17(7)20-21(24)26-23(8,9)27-22(20)25/h10-16H,1-9H3.
What are the key properties of 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione has a molecular weight of 418.61 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 44549817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).