5-methyl-1-triethoxysilylheptan-4-one

C14H30O4Si — CID 58479044

IUPAC5-methyl-1-triethoxysilylheptan-4-one
SMILESCCO[Si](CCCC(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-6-13(5)14(15)11-10-12-19(16-7-2,17-8-3)18-9-4/h13H,6-12H2,1-5H3
InChIKeyRAFFAVYGVSKCGH-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.43
Rot. Bonds12

About 5-methyl-1-triethoxysilylheptan-4-one

5-methyl-1-triethoxysilylheptan-4-one (PubChem CID 58479044) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 5-methyl-1-triethoxysilylheptan-4-one.

Molecular Properties

Compound Name5-methyl-1-triethoxysilylheptan-4-one
PubChem CID58479044
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name5-methyl-1-triethoxysilylheptan-4-one
SMILESCCO[Si](CCCC(=O)C(C)CC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-6-13(5)14(15)11-10-12-19(16-7-2,17-8-3)18-9-4/h13H,6-12H2,1-5H3
InChIKeyRAFFAVYGVSKCGH-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.43
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
4-(2-Trimethoxysilylethyl)cyclohexan-1-one
CID 20583985
2-(1-Trimethoxysilylethyl)cyclopentan-1-one
CID 54297467
5-Methyl-1-trimethoxysilylheptan-4-one
CID 58479045
3-Methyl-1-trimethoxysilylpentan-2-one
CID 58805561
3-(2-Triethoxysilylethyl)pentane-2,4-dione
CID 86093850
4,6-Diethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593230
1,7-Bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
CID 87593358
3,5-Dimethyl-1,7-bis(triethoxysilyl)heptan-4-one
CID 87593603
4,6-Dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
1,7-Bis[diethoxy(methyl)silyl]-3,5-diethylheptan-4-one
CID 87593945

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-triethoxysilylheptan-4-one?
The IUPAC name of 5-methyl-1-triethoxysilylheptan-4-one (CID 58479044) is 5-methyl-1-triethoxysilylheptan-4-one.
What is the SMILES notation for 5-methyl-1-triethoxysilylheptan-4-one?
The canonical SMILES for 5-methyl-1-triethoxysilylheptan-4-one is CCO[Si](CCCC(=O)C(C)CC)(OCC)OCC.
What is the InChIKey of 5-methyl-1-triethoxysilylheptan-4-one?
The InChIKey is RAFFAVYGVSKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-6-13(5)14(15)11-10-12-19(16-7-2,17-8-3)18-9-4/h13H,6-12H2,1-5H3.
What are the key properties of 5-methyl-1-triethoxysilylheptan-4-one?
5-methyl-1-triethoxysilylheptan-4-one has a molecular weight of 290.48 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-triethoxysilylheptan-4-one is sourced from PubChem (CID 58479044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).