3-methyl-1-trimethoxysilylbut-3-en-2-one

C8H16O4Si — CID 139685268

IUPAC3-methyl-1-trimethoxysilylbut-3-en-2-one
SMILESC=C(C)C(=O)C[Si](OC)(OC)OC
InChIInChI=1S/C8H16O4Si/c1-7(2)8(9)6-13(10-3,11-4)12-5/h1,6H2,2-5H3
InChIKeyULBBYDBKUAICGW-UHFFFAOYSA-N
MW204.30 g/mol
LogP1.01
Rot. Bonds6

About 3-methyl-1-trimethoxysilylbut-3-en-2-one

3-methyl-1-trimethoxysilylbut-3-en-2-one (PubChem CID 139685268) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-methyl-1-trimethoxysilylbut-3-en-2-one.

Molecular Properties

Compound Name3-methyl-1-trimethoxysilylbut-3-en-2-one
PubChem CID139685268
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name3-methyl-1-trimethoxysilylbut-3-en-2-one
SMILESC=C(C)C(=O)C[Si](OC)(OC)OC
InChIInChI=1S/C8H16O4Si/c1-7(2)8(9)6-13(10-3,11-4)12-5/h1,6H2,2-5H3
InChIKeyULBBYDBKUAICGW-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 51.01
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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Related Compounds

2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
CID 175561104
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
methane;1-methoxy-3-methylbut-3-en-2-one
CID 159886470
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
methyl 2-methylprop-2-enoate;2-methylpent-1-en-3-one
CID 158562898
(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
2,5-dimethylhexa-1,5-dien-3-one
CID 20789946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethoxysilylbut-3-en-2-one?
The IUPAC name of 3-methyl-1-trimethoxysilylbut-3-en-2-one (CID 139685268) is 3-methyl-1-trimethoxysilylbut-3-en-2-one.
What is the SMILES notation for 3-methyl-1-trimethoxysilylbut-3-en-2-one?
The canonical SMILES for 3-methyl-1-trimethoxysilylbut-3-en-2-one is C=C(C)C(=O)C[Si](OC)(OC)OC.
What is the InChIKey of 3-methyl-1-trimethoxysilylbut-3-en-2-one?
The InChIKey is ULBBYDBKUAICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-7(2)8(9)6-13(10-3,11-4)12-5/h1,6H2,2-5H3.
What are the key properties of 3-methyl-1-trimethoxysilylbut-3-en-2-one?
3-methyl-1-trimethoxysilylbut-3-en-2-one has a molecular weight of 204.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethoxysilylbut-3-en-2-one is sourced from PubChem (CID 139685268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).