3-methyl-1-trimethoxysilylpentan-2-one

C9H20O4Si — CID 58805561

IUPAC3-methyl-1-trimethoxysilylpentan-2-one
SMILESCCC(C)C(=O)C[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-6-8(2)9(10)7-14(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyXFMQTZRQPNDXLF-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.48
Rot. Bonds7

About 3-methyl-1-trimethoxysilylpentan-2-one

3-methyl-1-trimethoxysilylpentan-2-one (PubChem CID 58805561) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-methyl-1-trimethoxysilylpentan-2-one.

Molecular Properties

Compound Name3-methyl-1-trimethoxysilylpentan-2-one
PubChem CID58805561
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name3-methyl-1-trimethoxysilylpentan-2-one
SMILESCCC(C)C(=O)C[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-6-8(2)9(10)7-14(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyXFMQTZRQPNDXLF-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Trimethoxysilyl)propyl]pentane-2,4-dione
CID 15041690
3-[3-(Triethoxysilyl)propyl]pentane-2,4-dione
CID 15717282
5-Triethoxysilylpentan-2-one
CID 13555685
5-Methyl-1-triethoxysilylheptan-4-one
CID 58479044
5-Methyl-1-trimethoxysilylheptan-4-one
CID 58479045
3-(2-Triethoxysilylethyl)pentane-2,4-dione
CID 86093850
5-Trimethoxysilylpentan-2-one
CID 87508337
1-Trimethoxysilylpentane-2,4-dione
CID 87593771
3,5-Dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one
CID 87594651
3-Triethoxysilylpentan-2-one
CID 88725824
4-Methylpentan-2-one;trimethoxy(2-trimethoxysilylethyl)silane
CID 89903793
1-[Dihydroxy(2-methylpropoxy)silyl]-3-methylbutan-2-one
CID 140915587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethoxysilylpentan-2-one?
The IUPAC name of 3-methyl-1-trimethoxysilylpentan-2-one (CID 58805561) is 3-methyl-1-trimethoxysilylpentan-2-one.
What is the SMILES notation for 3-methyl-1-trimethoxysilylpentan-2-one?
The canonical SMILES for 3-methyl-1-trimethoxysilylpentan-2-one is CCC(C)C(=O)C[Si](OC)(OC)OC.
What is the InChIKey of 3-methyl-1-trimethoxysilylpentan-2-one?
The InChIKey is XFMQTZRQPNDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-6-8(2)9(10)7-14(11-3,12-4)13-5/h8H,6-7H2,1-5H3.
What are the key properties of 3-methyl-1-trimethoxysilylpentan-2-one?
3-methyl-1-trimethoxysilylpentan-2-one has a molecular weight of 220.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethoxysilylpentan-2-one is sourced from PubChem (CID 58805561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).