1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one

C9H18O3Si — CID 154317853

IUPAC1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(OCC)OCC
InChIInChI=1S/C9H18O3Si/c1-6-11-13(5,12-7-2)9(10)8(3)4/h3,6-7H2,1-2,4-5H3
InChIKeyZNHXHBRHZLABFR-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.82
Rot. Bonds6

About 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one

1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one (PubChem CID 154317853) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one
PubChem CID154317853
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(OCC)OCC
InChIInChI=1S/C9H18O3Si/c1-6-11-13(5,12-7-2)9(10)8(3)4/h3,6-7H2,1-2,4-5H3
InChIKeyZNHXHBRHZLABFR-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one
CID 13446370
Methacryl methoxysilane
CID 87789932
Methacryl propyloxysilane
CID 129774007
(Methylmethacryloyl)dimethyl-methoxysilane
CID 129829528
(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enal
CID 13897981
2-Methyl-1-triethoxysilylprop-2-en-1-one
CID 17852494
3-[Dimethoxy(2-methylprop-2-enoyl)silyl]propanal
CID 18974636
Ethoxy-dimethyl-propan-2-ylsilane;2-methylcycloprop-2-en-1-one
CID 19973777
2-Methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one
CID 22005451
(Methoxy-methyl-propylsilyl) 2-methylprop-2-enoate
CID 23221625
3-[Diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate
CID 23500169
(Butoxy-methyl-propylsilyl) 2-methylprop-2-enoate
CID 53866266

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one (CID 154317853) is 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one is C=C(C)C(=O)[Si](C)(OCC)OCC.
What is the InChIKey of 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one?
The InChIKey is ZNHXHBRHZLABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-11-13(5,12-7-2)9(10)8(3)4/h3,6-7H2,1-2,4-5H3.
What are the key properties of 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one?
1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one has a molecular weight of 202.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(methyl)silyl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 154317853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).