triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane

C20H38O7Si — CID 6455465

IUPACtriethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane
SMILESC=CCOC(OCC=C)C(OCC=C)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H38O7Si/c1-7-14-21-19(22-15-8-2)20(23-16-9-3)24-17-13-18-28(25-10-4,26-11-5)27-12-6/h7-9,19-20H,1-3,10-18H2,4-6H3
InChIKeyOJYVSVFMSBTURN-UHFFFAOYSA-N
MW418.60 g/mol
LogP3.70
Rot. Bonds21

About triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane

triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane (PubChem CID 6455465) has the molecular formula C20H38O7Si and a molecular weight of 418.60 g/mol. Its IUPAC name is triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane
PubChem CID6455465
Molecular FormulaC20H38O7Si
Molecular Weight418.60 g/mol
Exact Mass418.24
IUPAC Nametriethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane
SMILESC=CCOC(OCC=C)C(OCC=C)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H38O7Si/c1-7-14-21-19(22-15-8-2)20(23-16-9-3)24-17-13-18-28(25-10-4,26-11-5)27-12-6/h7-9,19-20H,1-3,10-18H2,4-6H3
InChIKeyOJYVSVFMSBTURN-UHFFFAOYSA-N
XLogP3.70
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane?
The IUPAC name of triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane (CID 6455465) is triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane.
What is the SMILES notation for triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane?
The canonical SMILES for triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane is C=CCOC(OCC=C)C(OCC=C)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane?
The InChIKey is OJYVSVFMSBTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7Si/c1-7-14-21-19(22-15-8-2)20(23-16-9-3)24-17-13-18-28(25-10-4,26-11-5)27-12-6/h7-9,19-20H,1-3,10-18H2,4-6H3.
What are the key properties of triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane?
triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane has a molecular weight of 418.60 g/mol, XLogP of 3.70, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[1,2,2-tris(prop-2-enoxy)ethoxy]propyl]silane is sourced from PubChem (CID 6455465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).