5-methyl-1-trimethoxysilylheptan-4-one

C11H24O4Si — CID 58479045

IUPAC5-methyl-1-trimethoxysilylheptan-4-one
SMILESCCC(C)C(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H24O4Si/c1-6-10(2)11(12)8-7-9-16(13-3,14-4)15-5/h10H,6-9H2,1-5H3
InChIKeyQYYIRQXHMOFGCW-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.26
Rot. Bonds9

About 5-methyl-1-trimethoxysilylheptan-4-one

5-methyl-1-trimethoxysilylheptan-4-one (PubChem CID 58479045) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-methyl-1-trimethoxysilylheptan-4-one.

Molecular Properties

Compound Name5-methyl-1-trimethoxysilylheptan-4-one
PubChem CID58479045
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name5-methyl-1-trimethoxysilylheptan-4-one
SMILESCCC(C)C(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H24O4Si/c1-6-10(2)11(12)8-7-9-16(13-3,14-4)15-5/h10H,6-9H2,1-5H3
InChIKeyQYYIRQXHMOFGCW-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-1-trimethoxysilylheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(Trimethoxysilyl)propyl]pentane-2,4-dione
CID 15041690
3-[3-(Triethoxysilyl)propyl]pentane-2,4-dione
CID 15717282
3-Ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one
CID 89114214
4-(2-Trimethoxysilylethyl)cyclohexan-1-one
CID 20583985
2-(1-Trimethoxysilylethyl)cyclopentan-1-one
CID 54297467
5-Methyl-1-triethoxysilylheptan-4-one
CID 58479044
1-Trimethoxysilylheptan-4-one
CID 58479057
3-Methyl-1-trimethoxysilylpentan-2-one
CID 58805561
3-(2-Trimethoxysilylethyl)cyclohexan-1-one
CID 58813393
1-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one
CID 59623649
3-(2-Triethoxysilylethyl)pentane-2,4-dione
CID 86093850
1,7-Bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
CID 87593358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-trimethoxysilylheptan-4-one?
The IUPAC name of 5-methyl-1-trimethoxysilylheptan-4-one (CID 58479045) is 5-methyl-1-trimethoxysilylheptan-4-one.
What is the SMILES notation for 5-methyl-1-trimethoxysilylheptan-4-one?
The canonical SMILES for 5-methyl-1-trimethoxysilylheptan-4-one is CCC(C)C(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 5-methyl-1-trimethoxysilylheptan-4-one?
The InChIKey is QYYIRQXHMOFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-6-10(2)11(12)8-7-9-16(13-3,14-4)15-5/h10H,6-9H2,1-5H3.
What are the key properties of 5-methyl-1-trimethoxysilylheptan-4-one?
5-methyl-1-trimethoxysilylheptan-4-one has a molecular weight of 248.39 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-trimethoxysilylheptan-4-one is sourced from PubChem (CID 58479045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).