1-tripentoxysilylethyl acetate

C19H40O5Si — CID 88637773

IUPAC1-tripentoxysilylethyl acetate
SMILESCCCCCO[Si](OCCCCC)(OCCCCC)C(C)OC(C)=O
InChIInChI=1S/C19H40O5Si/c1-6-9-12-15-21-25(19(5)24-18(4)20,22-16-13-10-7-2)23-17-14-11-8-3/h19H,6-17H2,1-5H3
InChIKeyUJNSGWIXXHMISG-UHFFFAOYSA-N
MW376.61 g/mol
LogP5.04
Rot. Bonds17

About 1-tripentoxysilylethyl acetate

1-tripentoxysilylethyl acetate (PubChem CID 88637773) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 1-tripentoxysilylethyl acetate.

Molecular Properties

Compound Name1-tripentoxysilylethyl acetate
PubChem CID88637773
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name1-tripentoxysilylethyl acetate
SMILESCCCCCO[Si](OCCCCC)(OCCCCC)C(C)OC(C)=O
InChIInChI=1S/C19H40O5Si/c1-6-9-12-15-21-25(19(5)24-18(4)20,22-16-13-10-7-2)23-17-14-11-8-3/h19H,6-17H2,1-5H3
InChIKeyUJNSGWIXXHMISG-UHFFFAOYSA-N
XLogP5.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.04
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 1-tripentoxysilylethyl acetate?
The IUPAC name of 1-tripentoxysilylethyl acetate (CID 88637773) is 1-tripentoxysilylethyl acetate.
What is the SMILES notation for 1-tripentoxysilylethyl acetate?
The canonical SMILES for 1-tripentoxysilylethyl acetate is CCCCCO[Si](OCCCCC)(OCCCCC)C(C)OC(C)=O.
What is the InChIKey of 1-tripentoxysilylethyl acetate?
The InChIKey is UJNSGWIXXHMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-6-9-12-15-21-25(19(5)24-18(4)20,22-16-13-10-7-2)23-17-14-11-8-3/h19H,6-17H2,1-5H3.
What are the key properties of 1-tripentoxysilylethyl acetate?
1-tripentoxysilylethyl acetate has a molecular weight of 376.61 g/mol, XLogP of 5.04, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tripentoxysilylethyl acetate is sourced from PubChem (CID 88637773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).