triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane

C14H30O5Si — CID 158162710

IUPACtriethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane
SMILESCCO[Si](CCCOCCCC1CO1)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-4-17-20(18-5-2,19-6-3)12-8-11-15-10-7-9-14-13-16-14/h14H,4-13H2,1-3H3
InChIKeyFWLXGIDCIPLRJA-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.62
Rot. Bonds14

About triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane

triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane (PubChem CID 158162710) has the molecular formula C14H30O5Si and a molecular weight of 306.47 g/mol. Its IUPAC name is triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane
PubChem CID158162710
Molecular FormulaC14H30O5Si
Molecular Weight306.47 g/mol
Exact Mass306.19
IUPAC Nametriethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane
SMILESCCO[Si](CCCOCCCC1CO1)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-4-17-20(18-5-2,19-6-3)12-8-11-15-10-7-9-14-13-16-14/h14H,4-13H2,1-3H3
InChIKeyFWLXGIDCIPLRJA-UHFFFAOYSA-N
XLogP2.62
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]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 triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane?
The IUPAC name of triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane (CID 158162710) is triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane.
What is the SMILES notation for triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane?
The canonical SMILES for triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane is CCO[Si](CCCOCCCC1CO1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane?
The InChIKey is FWLXGIDCIPLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-4-17-20(18-5-2,19-6-3)12-8-11-15-10-7-9-14-13-16-14/h14H,4-13H2,1-3H3.
What are the key properties of triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane?
triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane has a molecular weight of 306.47 g/mol, XLogP of 2.62, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[3-(oxiran-2-yl)propoxy]propyl]silane is sourced from PubChem (CID 158162710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).