2-tripentoxysilylethyl acetate

C19H40O5Si — CID 88637772

IUPAC2-tripentoxysilylethyl acetate
SMILESCCCCCO[Si](CCOC(C)=O)(OCCCCC)OCCCCC
InChIInChI=1S/C19H40O5Si/c1-5-8-11-14-22-25(18-17-21-19(4)20,23-15-12-9-6-2)24-16-13-10-7-3/h5-18H2,1-4H3
InChIKeyWOOQLXYCPOWSIS-UHFFFAOYSA-N
MW376.61 g/mol
LogP5.11
Rot. Bonds18

About 2-tripentoxysilylethyl acetate

2-tripentoxysilylethyl acetate (PubChem CID 88637772) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 2-tripentoxysilylethyl acetate.

Molecular Properties

Compound Name2-tripentoxysilylethyl acetate
PubChem CID88637772
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name2-tripentoxysilylethyl acetate
SMILESCCCCCO[Si](CCOC(C)=O)(OCCCCC)OCCCCC
InChIInChI=1S/C19H40O5Si/c1-5-8-11-14-22-25(18-17-21-19(4)20,23-15-12-9-6-2)24-16-13-10-7-3/h5-18H2,1-4H3
InChIKeyWOOQLXYCPOWSIS-UHFFFAOYSA-N
XLogP5.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-tripentoxysilylethyl acetate?
The IUPAC name of 2-tripentoxysilylethyl acetate (CID 88637772) is 2-tripentoxysilylethyl acetate.
What is the SMILES notation for 2-tripentoxysilylethyl acetate?
The canonical SMILES for 2-tripentoxysilylethyl acetate is CCCCCO[Si](CCOC(C)=O)(OCCCCC)OCCCCC.
What is the InChIKey of 2-tripentoxysilylethyl acetate?
The InChIKey is WOOQLXYCPOWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-5-8-11-14-22-25(18-17-21-19(4)20,23-15-12-9-6-2)24-16-13-10-7-3/h5-18H2,1-4H3.
What are the key properties of 2-tripentoxysilylethyl acetate?
2-tripentoxysilylethyl acetate has a molecular weight of 376.61 g/mol, XLogP of 5.11, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tripentoxysilylethyl acetate is sourced from PubChem (CID 88637772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).