2-ethylhexoxy-dimethyl-undecoxysilane

C21H46O2Si — CID 91743364

IUPAC2-ethylhexoxy-dimethyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C21H46O2Si/c1-6-9-11-12-13-14-15-16-17-19-22-24(4,5)23-20-21(8-3)18-10-7-2/h21H,6-20H2,1-5H3
InChIKeyVSAQDSCMDOIAEI-UHFFFAOYSA-N
MW358.68 g/mol
LogP7.47
Rot. Bonds18

About 2-ethylhexoxy-dimethyl-undecoxysilane

2-ethylhexoxy-dimethyl-undecoxysilane (PubChem CID 91743364) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-undecoxysilane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-undecoxysilane
PubChem CID91743364
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Name2-ethylhexoxy-dimethyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C21H46O2Si/c1-6-9-11-12-13-14-15-16-17-19-22-24(4,5)23-20-21(8-3)18-10-7-2/h21H,6-20H2,1-5H3
InChIKeyVSAQDSCMDOIAEI-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 57.47
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-undecoxysilane 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-undecoxysilane?
The IUPAC name of 2-ethylhexoxy-dimethyl-undecoxysilane (CID 91743364) is 2-ethylhexoxy-dimethyl-undecoxysilane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-undecoxysilane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-undecoxysilane is CCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-dimethyl-undecoxysilane?
The InChIKey is VSAQDSCMDOIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-6-9-11-12-13-14-15-16-17-19-22-24(4,5)23-20-21(8-3)18-10-7-2/h21H,6-20H2,1-5H3.
What are the key properties of 2-ethylhexoxy-dimethyl-undecoxysilane?
2-ethylhexoxy-dimethyl-undecoxysilane has a molecular weight of 358.68 g/mol, XLogP of 7.47, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-undecoxysilane is sourced from PubChem (CID 91743364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).