ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate

C14H34O4Si3 — CID 135063543

IUPACethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
SMILESCCOC(=O)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-9-16-14(15)12-10-11-13-21(8,17-19(2,3)4)18-20(5,6)7/h9-13H2,1-8H3
InChIKeyZDHUACIADXEKEI-UHFFFAOYSA-N
MW350.68 g/mol
LogP4.49
Rot. Bonds10

About ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate

ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate (PubChem CID 135063543) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
PubChem CID135063543
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Nameethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
SMILESCCOC(=O)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-9-16-14(15)12-10-11-13-21(8,17-19(2,3)4)18-20(5,6)7/h9-13H2,1-8H3
InChIKeyZDHUACIADXEKEI-UHFFFAOYSA-N
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate 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 ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The IUPAC name of ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate (CID 135063543) is ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate.
What is the SMILES notation for ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The canonical SMILES for ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate is CCOC(=O)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The InChIKey is ZDHUACIADXEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-9-16-14(15)12-10-11-13-21(8,17-19(2,3)4)18-20(5,6)7/h9-13H2,1-8H3.
What are the key properties of ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate has a molecular weight of 350.68 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate is sourced from PubChem (CID 135063543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).