7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C11H16O3Si — CID 10857105

IUPAC7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESC[Si](C)(C)C1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C11H16O3Si/c1-15(2,3)10-8-11(5-4-9(10)12)13-6-7-14-11/h4-5,8H,6-7H2,1-3H3
InChIKeyIPEGXYMSJPQNAU-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.67
Rot. Bonds1

About 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 10857105) has the molecular formula C11H16O3Si and a molecular weight of 224.33 g/mol. Its IUPAC name is 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID10857105
Molecular FormulaC11H16O3Si
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESC[Si](C)(C)C1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C11H16O3Si/c1-15(2,3)10-8-11(5-4-9(10)12)13-6-7-14-11/h4-5,8H,6-7H2,1-3H3
InChIKeyIPEGXYMSJPQNAU-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one 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 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 10857105) is 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is C[Si](C)(C)C1=CC2(C=CC1=O)OCCO2.
What is the InChIKey of 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is IPEGXYMSJPQNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3Si/c1-15(2,3)10-8-11(5-4-9(10)12)13-6-7-14-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 224.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 10857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).