1-triethoxysilylundecan-1-one

C17H36O4Si — CID 87092852

IUPAC1-triethoxysilylundecan-1-one
SMILESCCCCCCCCCCC(=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-14-15-16-17(18)22(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
InChIKeyYCYZCQRZLBQXLZ-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.67
Rot. Bonds16

About 1-triethoxysilylundecan-1-one

1-triethoxysilylundecan-1-one (PubChem CID 87092852) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 1-triethoxysilylundecan-1-one.

Molecular Properties

Compound Name1-triethoxysilylundecan-1-one
PubChem CID87092852
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name1-triethoxysilylundecan-1-one
SMILESCCCCCCCCCCC(=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-14-15-16-17(18)22(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
InChIKeyYCYZCQRZLBQXLZ-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylundecan-1-one?
The IUPAC name of 1-triethoxysilylundecan-1-one (CID 87092852) is 1-triethoxysilylundecan-1-one.
What is the SMILES notation for 1-triethoxysilylundecan-1-one?
The canonical SMILES for 1-triethoxysilylundecan-1-one is CCCCCCCCCCC(=O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylundecan-1-one?
The InChIKey is YCYZCQRZLBQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-14-15-16-17(18)22(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3.
What are the key properties of 1-triethoxysilylundecan-1-one?
1-triethoxysilylundecan-1-one has a molecular weight of 332.56 g/mol, XLogP of 4.67, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylundecan-1-one is sourced from PubChem (CID 87092852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).