1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one

C8H16O2Si — CID 167431366

IUPAC1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(C)OCC
InChIInChI=1S/C8H16O2Si/c1-6-10-11(4,5)8(9)7(2)3/h2,6H2,1,3-5H3
InChIKeyDDERAMPBUXQNPB-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.91
Rot. Bonds4

About 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one

1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one (PubChem CID 167431366) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one
PubChem CID167431366
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(C)OCC
InChIInChI=1S/C8H16O2Si/c1-6-10-11(4,5)8(9)7(2)3/h2,6H2,1,3-5H3
InChIKeyDDERAMPBUXQNPB-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one (CID 167431366) is 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one is C=C(C)C(=O)[Si](C)(C)OCC.
What is the InChIKey of 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one?
The InChIKey is DDERAMPBUXQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-10-11(4,5)8(9)7(2)3/h2,6H2,1,3-5H3.
What are the key properties of 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one?
1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one has a molecular weight of 172.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(dimethyl)silyl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 167431366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).