trimethylsilyl 5-methoxypentanoate

C9H20O3Si — CID 552611

IUPACtrimethylsilyl 5-methoxypentanoate
SMILESCOCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-11-8-6-5-7-9(10)12-13(2,3)4/h5-8H2,1-4H3
InChIKeyAQEPTFZGCCBQQJ-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.18
Rot. Bonds6

About trimethylsilyl 5-methoxypentanoate

trimethylsilyl 5-methoxypentanoate (PubChem CID 552611) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is trimethylsilyl 5-methoxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-methoxypentanoate
PubChem CID552611
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Nametrimethylsilyl 5-methoxypentanoate
SMILESCOCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-11-8-6-5-7-9(10)12-13(2,3)4/h5-8H2,1-4H3
InChIKeyAQEPTFZGCCBQQJ-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 5-methoxypentanoate 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 trimethylsilyl 5-methoxypentanoate?
The IUPAC name of trimethylsilyl 5-methoxypentanoate (CID 552611) is trimethylsilyl 5-methoxypentanoate.
What is the SMILES notation for trimethylsilyl 5-methoxypentanoate?
The canonical SMILES for trimethylsilyl 5-methoxypentanoate is COCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-methoxypentanoate?
The InChIKey is AQEPTFZGCCBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-11-8-6-5-7-9(10)12-13(2,3)4/h5-8H2,1-4H3.
What are the key properties of trimethylsilyl 5-methoxypentanoate?
trimethylsilyl 5-methoxypentanoate has a molecular weight of 204.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-methoxypentanoate is sourced from PubChem (CID 552611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).