2-methyl-6-triethoxysilylhex-1-en-3-one

C13H26O4Si — CID 18364579

IUPAC2-methyl-6-triethoxysilylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-6-15-18(16-7-2,17-8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyBVTACSRUXCUEHT-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.96
Rot. Bonds11

About 2-methyl-6-triethoxysilylhex-1-en-3-one

2-methyl-6-triethoxysilylhex-1-en-3-one (PubChem CID 18364579) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methyl-6-triethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-triethoxysilylhex-1-en-3-one
PubChem CID18364579
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-methyl-6-triethoxysilylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-6-15-18(16-7-2,17-8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyBVTACSRUXCUEHT-UHFFFAOYSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-6-triethoxysilylhex-1-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-6-triethoxysilylhex-1-en-3-one?
The IUPAC name of 2-methyl-6-triethoxysilylhex-1-en-3-one (CID 18364579) is 2-methyl-6-triethoxysilylhex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-triethoxysilylhex-1-en-3-one?
The canonical SMILES for 2-methyl-6-triethoxysilylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-methyl-6-triethoxysilylhex-1-en-3-one?
The InChIKey is BVTACSRUXCUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-15-18(16-7-2,17-8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of 2-methyl-6-triethoxysilylhex-1-en-3-one?
2-methyl-6-triethoxysilylhex-1-en-3-one has a molecular weight of 274.43 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-triethoxysilylhex-1-en-3-one is sourced from PubChem (CID 18364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).