2-ethylhexoxy-dimethyl-tridecoxysilane

C23H50O2Si — CID 91744152

IUPAC2-ethylhexoxy-dimethyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C23H50O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-21-24-26(4,5)25-22-23(8-3)20-10-7-2/h23H,6-22H2,1-5H3
InChIKeyPJQNLXRXBJAUGH-UHFFFAOYSA-N
MW386.74 g/mol
LogP8.25
Rot. Bonds20

About 2-ethylhexoxy-dimethyl-tridecoxysilane

2-ethylhexoxy-dimethyl-tridecoxysilane (PubChem CID 91744152) has the molecular formula C23H50O2Si and a molecular weight of 386.74 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-tridecoxysilane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-tridecoxysilane
PubChem CID91744152
Molecular FormulaC23H50O2Si
Molecular Weight386.74 g/mol
Exact Mass386.36
IUPAC Name2-ethylhexoxy-dimethyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C23H50O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-21-24-26(4,5)25-22-23(8-3)20-10-7-2/h23H,6-22H2,1-5H3
InChIKeyPJQNLXRXBJAUGH-UHFFFAOYSA-N
XLogP8.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethylhexoxy-dimethyl-tridecoxysilane 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-ethylhexoxy-dimethyl-tridecoxysilane?
The IUPAC name of 2-ethylhexoxy-dimethyl-tridecoxysilane (CID 91744152) is 2-ethylhexoxy-dimethyl-tridecoxysilane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-tridecoxysilane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-tridecoxysilane is CCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-dimethyl-tridecoxysilane?
The InChIKey is PJQNLXRXBJAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-21-24-26(4,5)25-22-23(8-3)20-10-7-2/h23H,6-22H2,1-5H3.
What are the key properties of 2-ethylhexoxy-dimethyl-tridecoxysilane?
2-ethylhexoxy-dimethyl-tridecoxysilane has a molecular weight of 386.74 g/mol, XLogP of 8.25, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-tridecoxysilane is sourced from PubChem (CID 91744152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).