2-methyl-2-trimethylsilyloxyhept-6-en-3-one

C11H22O2Si — CID 71320509

IUPAC2-methyl-2-trimethylsilyloxyhept-6-en-3-one
SMILESC=CCCC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-9-10(12)11(2,3)13-14(4,5)6/h7H,1,8-9H2,2-6H3
InChIKeyXZTKNNWGLXOEQO-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds6

About 2-methyl-2-trimethylsilyloxyhept-6-en-3-one

2-methyl-2-trimethylsilyloxyhept-6-en-3-one (PubChem CID 71320509) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-methyl-2-trimethylsilyloxyhept-6-en-3-one.

Molecular Properties

Compound Name2-methyl-2-trimethylsilyloxyhept-6-en-3-one
PubChem CID71320509
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-methyl-2-trimethylsilyloxyhept-6-en-3-one
SMILESC=CCCC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-9-10(12)11(2,3)13-14(4,5)6/h7H,1,8-9H2,2-6H3
InChIKeyXZTKNNWGLXOEQO-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-trimethylsilyloxyhept-6-en-3-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 2-methyl-2-trimethylsilyloxyhept-6-en-3-one?
The IUPAC name of 2-methyl-2-trimethylsilyloxyhept-6-en-3-one (CID 71320509) is 2-methyl-2-trimethylsilyloxyhept-6-en-3-one.
What is the SMILES notation for 2-methyl-2-trimethylsilyloxyhept-6-en-3-one?
The canonical SMILES for 2-methyl-2-trimethylsilyloxyhept-6-en-3-one is C=CCCC(=O)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-trimethylsilyloxyhept-6-en-3-one?
The InChIKey is XZTKNNWGLXOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-8-9-10(12)11(2,3)13-14(4,5)6/h7H,1,8-9H2,2-6H3.
What are the key properties of 2-methyl-2-trimethylsilyloxyhept-6-en-3-one?
2-methyl-2-trimethylsilyloxyhept-6-en-3-one has a molecular weight of 214.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-trimethylsilyloxyhept-6-en-3-one is sourced from PubChem (CID 71320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).