tripropylsilyl butanoate

C13H28O2Si — CID 608419

IUPACtripropylsilyl butanoate
SMILESCCCC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C13H28O2Si/c1-5-9-13(14)15-16(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyBXFFZAWJAROVSQ-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.51
Rot. Bonds9

About tripropylsilyl butanoate

tripropylsilyl butanoate (PubChem CID 608419) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is tripropylsilyl butanoate.

Molecular Properties

Compound Nametripropylsilyl butanoate
PubChem CID608419
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nametripropylsilyl butanoate
SMILESCCCC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C13H28O2Si/c1-5-9-13(14)15-16(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyBXFFZAWJAROVSQ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tripropylsilyl butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tripropylsilyl butanoate?
The IUPAC name of tripropylsilyl butanoate (CID 608419) is tripropylsilyl butanoate.
What is the SMILES notation for tripropylsilyl butanoate?
The canonical SMILES for tripropylsilyl butanoate is CCCC(=O)O[Si](CCC)(CCC)CCC.
What is the InChIKey of tripropylsilyl butanoate?
The InChIKey is BXFFZAWJAROVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-9-13(14)15-16(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3.
What are the key properties of tripropylsilyl butanoate?
tripropylsilyl butanoate has a molecular weight of 244.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl butanoate is sourced from PubChem (CID 608419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).