trimethoxysilyl butanoate

C7H16O5Si — CID 14250206

IUPACtrimethoxysilyl butanoate
SMILESCCCC(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C7H16O5Si/c1-5-6-7(8)12-13(9-2,10-3)11-4/h5-6H2,1-4H3
InChIKeyVMLOIIKUOIQPTQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.70
Rot. Bonds6

About trimethoxysilyl butanoate

trimethoxysilyl butanoate (PubChem CID 14250206) has the molecular formula C7H16O5Si and a molecular weight of 208.29 g/mol. Its IUPAC name is trimethoxysilyl butanoate.

Molecular Properties

Compound Nametrimethoxysilyl butanoate
PubChem CID14250206
Molecular FormulaC7H16O5Si
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Nametrimethoxysilyl butanoate
SMILESCCCC(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C7H16O5Si/c1-5-6-7(8)12-13(9-2,10-3)11-4/h5-6H2,1-4H3
InChIKeyVMLOIIKUOIQPTQ-UHFFFAOYSA-N
XLogP0.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethoxysilyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethoxysilyl propanoate
CID 87655017
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
tributylsilyl butanoate
CID 615215
[chloromethyl(dimethyl)silyl] butanoate
CID 554702
CID 171374935
CID 171374935
[dimethyl(methylaminomethyl)silyl] butanoate
CID 150498480
dibutanoyl butanedioate
CID 88643975
sodium;butanoyl butanoate;hydride
CID 173362700
trimethoxysilyl carbamate
CID 87912999
ethyl butanoate
CID 7762
ethyl (1,2-13C2)butanoate
CID 157463359

Frequently Asked Questions

What is the IUPAC name of trimethoxysilyl butanoate?
The IUPAC name of trimethoxysilyl butanoate (CID 14250206) is trimethoxysilyl butanoate.
What is the SMILES notation for trimethoxysilyl butanoate?
The canonical SMILES for trimethoxysilyl butanoate is CCCC(=O)O[Si](OC)(OC)OC.
What is the InChIKey of trimethoxysilyl butanoate?
The InChIKey is VMLOIIKUOIQPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5Si/c1-5-6-7(8)12-13(9-2,10-3)11-4/h5-6H2,1-4H3.
What are the key properties of trimethoxysilyl butanoate?
trimethoxysilyl butanoate has a molecular weight of 208.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl butanoate is sourced from PubChem (CID 14250206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).