triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane

C21H44O3Si — CID 23651623

IUPACtriethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane
SMILESC=CCOC(CCCCCCCCC)OCCO[Si](CC)(CC)CC
InChIInChI=1S/C21H44O3Si/c1-6-11-12-13-14-15-16-17-21(22-18-7-2)23-19-20-24-25(8-3,9-4)10-5/h7,21H,2,6,8-20H2,1,3-5H3
InChIKeyJUTVFKIMSXUPCZ-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.69
Rot. Bonds19

About triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane

triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane (PubChem CID 23651623) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane.

Molecular Properties

Compound Nametriethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane
PubChem CID23651623
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Nametriethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane
SMILESC=CCOC(CCCCCCCCC)OCCO[Si](CC)(CC)CC
InChIInChI=1S/C21H44O3Si/c1-6-11-12-13-14-15-16-17-21(22-18-7-2)23-19-20-24-25(8-3,9-4)10-5/h7,21H,2,6,8-20H2,1,3-5H3
InChIKeyJUTVFKIMSXUPCZ-UHFFFAOYSA-N
XLogP6.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane 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 triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane?
The IUPAC name of triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane (CID 23651623) is triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane.
What is the SMILES notation for triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane?
The canonical SMILES for triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane is C=CCOC(CCCCCCCCC)OCCO[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane?
The InChIKey is JUTVFKIMSXUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-6-11-12-13-14-15-16-17-21(22-18-7-2)23-19-20-24-25(8-3,9-4)10-5/h7,21H,2,6,8-20H2,1,3-5H3.
What are the key properties of triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane?
triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane has a molecular weight of 372.67 g/mol, XLogP of 6.69, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane is sourced from PubChem (CID 23651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).