2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine

C9H19BO3Si — CID 14024412

IUPAC2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
SMILESCCOB1OC(CC)=C(C)[Si](C)(C)O1
InChIInChI=1S/C9H19BO3Si/c1-6-9-8(3)14(4,5)13-10(12-9)11-7-2/h6-7H2,1-5H3
InChIKeyNIWLHCHINUJBIM-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.48
Rot. Bonds3

About 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine

2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine (PubChem CID 14024412) has the molecular formula C9H19BO3Si and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine.

Molecular Properties

Compound Name2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
PubChem CID14024412
Molecular FormulaC9H19BO3Si
Molecular Weight214.15 g/mol
Exact Mass214.12
IUPAC Name2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
SMILESCCOB1OC(CC)=C(C)[Si](C)(C)O1
InChIInChI=1S/C9H19BO3Si/c1-6-9-8(3)14(4,5)13-10(12-9)11-7-2/h6-7H2,1-5H3
InChIKeyNIWLHCHINUJBIM-UHFFFAOYSA-N
XLogP2.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine 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 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The IUPAC name of 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine (CID 14024412) is 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine.
What is the SMILES notation for 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The canonical SMILES for 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine is CCOB1OC(CC)=C(C)[Si](C)(C)O1.
What is the InChIKey of 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The InChIKey is NIWLHCHINUJBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3Si/c1-6-9-8(3)14(4,5)13-10(12-9)11-7-2/h6-7H2,1-5H3.
What are the key properties of 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine has a molecular weight of 214.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-ethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine is sourced from PubChem (CID 14024412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).