5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C29H36O5Si — CID 10885503

IUPAC5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=C=CCC(CCC1C(=O)OC(C)(C)OC1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O5Si/c1-7-8-15-22(20-21-25-26(30)32-29(5,6)33-27(25)31)34-35(28(2,3)4,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h8-14,16-19,22,25H,1,15,20-21H2,2-6H3
InChIKeyOYVCKWUCKJEOBV-UHFFFAOYSA-N
MW492.69 g/mol
LogP4.90
Rot. Bonds9

About 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 10885503) has the molecular formula C29H36O5Si and a molecular weight of 492.69 g/mol. Its IUPAC name is 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID10885503
Molecular FormulaC29H36O5Si
Molecular Weight492.69 g/mol
Exact Mass492.23
IUPAC Name5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=C=CCC(CCC1C(=O)OC(C)(C)OC1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O5Si/c1-7-8-15-22(20-21-25-26(30)32-29(5,6)33-27(25)31)34-35(28(2,3)4,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h8-14,16-19,22,25H,1,15,20-21H2,2-6H3
InChIKeyOYVCKWUCKJEOBV-UHFFFAOYSA-N
XLogP4.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-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 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 10885503) is 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is C=C=CCC(CCC1C(=O)OC(C)(C)OC1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is OYVCKWUCKJEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O5Si/c1-7-8-15-22(20-21-25-26(30)32-29(5,6)33-27(25)31)34-35(28(2,3)4,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h8-14,16-19,22,25H,1,15,20-21H2,2-6H3.
What are the key properties of 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 492.69 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(diphenyl)silyl]oxyhepta-5,6-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 10885503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).