[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane

C25H52O2Si — CID 91715840

IUPAC[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane
SMILESCCCCC/C=C/CCCO[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C25H52O2Si/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-28(3,4)26-24-22-20-18-14-12-10-8-6-2/h14,18H,5-13,15-17,19-25H2,1-4H3/b18-14+
InChIKeyGTOYVEDFDYACGF-NBVRZTHBSA-N
MW412.78 g/mol
LogP8.95
Rot. Bonds22

About [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane

[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane (PubChem CID 91715840) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane.

Molecular Properties

Compound Name[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane
PubChem CID91715840
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Name[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane
SMILESCCCCC/C=C/CCCO[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C25H52O2Si/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-28(3,4)26-24-22-20-18-14-12-10-8-6-2/h14,18H,5-13,15-17,19-25H2,1-4H3/b18-14+
InChIKeyGTOYVEDFDYACGF-NBVRZTHBSA-N
XLogP8.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-dec-4-enoxy]-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 [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane?
The IUPAC name of [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane (CID 91715840) is [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane.
What is the SMILES notation for [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane?
The canonical SMILES for [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane is CCCCC/C=C/CCCO[Si](C)(C)OCCCCCCCCCCCCC.
What is the InChIKey of [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane?
The InChIKey is GTOYVEDFDYACGF-NBVRZTHBSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-28(3,4)26-24-22-20-18-14-12-10-8-6-2/h14,18H,5-13,15-17,19-25H2,1-4H3/b18-14+.
What are the key properties of [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane?
[(E)-dec-4-enoxy]-dimethyl-tridecoxysilane has a molecular weight of 412.78 g/mol, XLogP of 8.95, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-4-enoxy]-dimethyl-tridecoxysilane is sourced from PubChem (CID 91715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).