4-triethoxysilylbutyl propanoate

C13H28O5Si — CID 141347796

IUPAC4-triethoxysilylbutyl propanoate
SMILESCCO[Si](CCCCOC(=O)CC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-5-13(14)15-11-9-10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeyFTBNOKPVKUHDES-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds12

About 4-triethoxysilylbutyl propanoate

4-triethoxysilylbutyl propanoate (PubChem CID 141347796) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-triethoxysilylbutyl propanoate.

Molecular Properties

Compound Name4-triethoxysilylbutyl propanoate
PubChem CID141347796
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-triethoxysilylbutyl propanoate
SMILESCCO[Si](CCCCOC(=O)CC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-5-13(14)15-11-9-10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeyFTBNOKPVKUHDES-UHFFFAOYSA-N
XLogP2.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
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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Related Compounds

4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
14-propanoyloxytetradecyl propanoate
CID 100931915
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
3-aminopropyl propanoate;hydrochloride
CID 91621397
pentyl propanoate;hydrofluoride
CID 174645674
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutyl propanoate?
The IUPAC name of 4-triethoxysilylbutyl propanoate (CID 141347796) is 4-triethoxysilylbutyl propanoate.
What is the SMILES notation for 4-triethoxysilylbutyl propanoate?
The canonical SMILES for 4-triethoxysilylbutyl propanoate is CCO[Si](CCCCOC(=O)CC)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutyl propanoate?
The InChIKey is FTBNOKPVKUHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-5-13(14)15-11-9-10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3.
What are the key properties of 4-triethoxysilylbutyl propanoate?
4-triethoxysilylbutyl propanoate has a molecular weight of 292.45 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutyl propanoate is sourced from PubChem (CID 141347796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).