2-Methyl-4-triethoxysilylhex-1-en-3-one

C13H26O4Si — CID 22992605

IUPAC2-methyl-4-triethoxysilylhex-1-en-3-one
SMILESCCC(C(=O)C(=C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-7-12(13(14)11(5)6)18(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3
InChIKeyPRAYXVJOGDFWPF-UHFFFAOYSA-N
MW274.43 g/mol
LogP—
Rot. Bonds10

About 2-Methyl-4-triethoxysilylhex-1-en-3-one

2-Methyl-4-triethoxysilylhex-1-en-3-one (PubChem CID 22992605) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methyl-4-triethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name2-Methyl-4-triethoxysilylhex-1-en-3-one
PubChem CID22992605
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-methyl-4-triethoxysilylhex-1-en-3-one
SMILESCCC(C(=O)C(=C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-7-12(13(14)11(5)6)18(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3
InChIKeyPRAYXVJOGDFWPF-UHFFFAOYSA-N
XLogP—
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-Methyl-4-triethoxysilylhex-1-en-3-one?
The IUPAC name of 2-Methyl-4-triethoxysilylhex-1-en-3-one (CID 22992605) is 2-methyl-4-triethoxysilylhex-1-en-3-one.
What is the SMILES notation for 2-Methyl-4-triethoxysilylhex-1-en-3-one?
The canonical SMILES for 2-Methyl-4-triethoxysilylhex-1-en-3-one is CCC(C(=O)C(=C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-Methyl-4-triethoxysilylhex-1-en-3-one?
The InChIKey is PRAYXVJOGDFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-12(13(14)11(5)6)18(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3.
What are the key properties of 2-Methyl-4-triethoxysilylhex-1-en-3-one?
2-Methyl-4-triethoxysilylhex-1-en-3-one has a molecular weight of 274.43 g/mol, XLogP of not available, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-4-triethoxysilylhex-1-en-3-one is sourced from PubChem (CID 22992605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).