1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one

C11H22O4Si — CID 175561104

IUPAC1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)CO[Si](CCCC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-7-8-16(13-4,14-5)15-9-11(12)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyMGSUFZAAFOBUID-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.18
Rot. Bonds9

About 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one

1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one (PubChem CID 175561104) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
PubChem CID175561104
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)CO[Si](CCCC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-7-8-16(13-4,14-5)15-9-11(12)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyMGSUFZAAFOBUID-UHFFFAOYSA-N
XLogP2.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.18
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

[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
[butyl(dimethoxy)silyl]oxymethyl propanoate
CID 140963360
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
3-methyl-1-trimethoxysilylbut-3-en-2-one
CID 139685268
butoxy-butyl-dimethoxysilane
CID 139714527
butyl-methoxy-dimethylsilane;2-methylprop-2-enamide
CID 158277654

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one?
The IUPAC name of 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one (CID 175561104) is 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one.
What is the SMILES notation for 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one?
The canonical SMILES for 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one is C=C(C)C(=O)CO[Si](CCCC)(OC)OC.
What is the InChIKey of 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one?
The InChIKey is MGSUFZAAFOBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-7-8-16(13-4,14-5)15-9-11(12)10(2)3/h2,6-9H2,1,3-5H3.
What are the key properties of 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one?
1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one has a molecular weight of 246.38 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one is sourced from PubChem (CID 175561104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).