8-[diethoxy(methoxy)silyl]octan-4-one

C13H28O4Si — CID 162505528

IUPAC8-[diethoxy(methoxy)silyl]octan-4-one
SMILESCCCC(=O)CCCC[Si](OC)(OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-5-10-13(14)11-8-9-12-18(15-4,16-6-2)17-7-3/h5-12H2,1-4H3
InChIKeyRFUBFZKXTIZJGC-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.18
Rot. Bonds12

About 8-[diethoxy(methoxy)silyl]octan-4-one

8-[diethoxy(methoxy)silyl]octan-4-one (PubChem CID 162505528) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 8-[diethoxy(methoxy)silyl]octan-4-one.

Molecular Properties

Compound Name8-[diethoxy(methoxy)silyl]octan-4-one
PubChem CID162505528
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name8-[diethoxy(methoxy)silyl]octan-4-one
SMILESCCCC(=O)CCCC[Si](OC)(OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-5-10-13(14)11-8-9-12-18(15-4,16-6-2)17-7-3/h5-12H2,1-4H3
InChIKeyRFUBFZKXTIZJGC-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
dodecyl-diethoxy-methoxysilane
CID 141483107
14-[methoxy(dimethyl)silyl]tetradecan-4-one
CID 157055533
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374
8-triethoxysilyloctanethioic S-acid
CID 87672935
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
6-trimethoxysilylhexan-3-one
CID 154355591
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990

Frequently Asked Questions

What is the IUPAC name of 8-[diethoxy(methoxy)silyl]octan-4-one?
The IUPAC name of 8-[diethoxy(methoxy)silyl]octan-4-one (CID 162505528) is 8-[diethoxy(methoxy)silyl]octan-4-one.
What is the SMILES notation for 8-[diethoxy(methoxy)silyl]octan-4-one?
The canonical SMILES for 8-[diethoxy(methoxy)silyl]octan-4-one is CCCC(=O)CCCC[Si](OC)(OCC)OCC.
What is the InChIKey of 8-[diethoxy(methoxy)silyl]octan-4-one?
The InChIKey is RFUBFZKXTIZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-5-10-13(14)11-8-9-12-18(15-4,16-6-2)17-7-3/h5-12H2,1-4H3.
What are the key properties of 8-[diethoxy(methoxy)silyl]octan-4-one?
8-[diethoxy(methoxy)silyl]octan-4-one has a molecular weight of 276.45 g/mol, XLogP of 3.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[diethoxy(methoxy)silyl]octan-4-one is sourced from PubChem (CID 162505528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).