9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione

C29H36O5Si — CID 85302276

IUPAC9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione
SMILESC=CC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C29H36O5Si/c1-7-21-20-22(18-19-29(21)25(30)32-28(5,6)33-26(29)31)34-35(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h7-17,21-22H,1,18-20H2,2-6H3
InChIKeyCVHCXZKHWSPSLC-UHFFFAOYSA-N
MW492.69 g/mol
LogP4.74
Rot. Bonds5

About 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione

9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione (PubChem CID 85302276) has the molecular formula C29H36O5Si and a molecular weight of 492.69 g/mol. Its IUPAC name is 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione.

Molecular Properties

Compound Name9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione
PubChem CID85302276
Molecular FormulaC29H36O5Si
Molecular Weight492.69 g/mol
Exact Mass492.23
IUPAC Name9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione
SMILESC=CC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C29H36O5Si/c1-7-21-20-22(18-19-29(21)25(30)32-28(5,6)33-26(29)31)34-35(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h7-17,21-22H,1,18-20H2,2-6H3
InChIKeyCVHCXZKHWSPSLC-UHFFFAOYSA-N
XLogP4.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 54.74
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-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 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione?
The IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione (CID 85302276) is 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione.
What is the SMILES notation for 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione?
The canonical SMILES for 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione is C=CC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC12C(=O)OC(C)(C)OC2=O.
What is the InChIKey of 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione?
The InChIKey is CVHCXZKHWSPSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O5Si/c1-7-21-20-22(18-19-29(21)25(30)32-28(5,6)33-26(29)31)34-35(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h7-17,21-22H,1,18-20H2,2-6H3.
What are the key properties of 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione?
9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione has a molecular weight of 492.69 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(diphenyl)silyl]oxy-11-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5-dione is sourced from PubChem (CID 85302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).