[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane

C12H18O2Si — CID 13417450

IUPAC[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane
SMILESCOC(O[Si](C)(C)C)=C1C=CC=CC=C1
InChIInChI=1S/C12H18O2Si/c1-13-12(14-15(2,3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3
InChIKeyUJRXQYIJUMNXKJ-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.38
Rot. Bonds3

About [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane

[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane (PubChem CID 13417450) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane
PubChem CID13417450
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane
SMILESCOC(O[Si](C)(C)C)=C1C=CC=CC=C1
InChIInChI=1S/C12H18O2Si/c1-13-12(14-15(2,3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3
InChIKeyUJRXQYIJUMNXKJ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane 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 [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane?
The IUPAC name of [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane (CID 13417450) is [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane.
What is the SMILES notation for [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane?
The canonical SMILES for [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane is COC(O[Si](C)(C)C)=C1C=CC=CC=C1.
What is the InChIKey of [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane?
The InChIKey is UJRXQYIJUMNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-13-12(14-15(2,3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3.
What are the key properties of [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane?
[cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane has a molecular weight of 222.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohepta-2,4,6-trien-1-ylidene(methoxy)methoxy]-trimethylsilane is sourced from PubChem (CID 13417450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).