3-trimethoxysilylpropyl butanoate

C10H22O5Si — CID 11984302

IUPAC3-trimethoxysilylpropyl butanoate
SMILESCCCC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyHDHIIYSHHYSMPZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.60
Rot. Bonds9

About 3-trimethoxysilylpropyl butanoate

3-trimethoxysilylpropyl butanoate (PubChem CID 11984302) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl butanoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl butanoate
PubChem CID11984302
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Name3-trimethoxysilylpropyl butanoate
SMILESCCCC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyHDHIIYSHHYSMPZ-UHFFFAOYSA-N
XLogP1.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.60
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 3-trimethoxysilylpropyl butanoate?
The IUPAC name of 3-trimethoxysilylpropyl butanoate (CID 11984302) is 3-trimethoxysilylpropyl butanoate.
What is the SMILES notation for 3-trimethoxysilylpropyl butanoate?
The canonical SMILES for 3-trimethoxysilylpropyl butanoate is CCCC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl butanoate?
The InChIKey is HDHIIYSHHYSMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3.
What are the key properties of 3-trimethoxysilylpropyl butanoate?
3-trimethoxysilylpropyl butanoate has a molecular weight of 250.37 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl butanoate is sourced from PubChem (CID 11984302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).