triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane

C23H46O6Si2 — CID 54123067

IUPACtriethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane
SMILESCCO[Si](CCCC1=C(CCC[Si](OCC)(OCC)OCC)CC=C1)(OCC)OCC
InChIInChI=1S/C23H46O6Si2/c1-7-24-30(25-8-2,26-9-3)20-14-18-22-16-13-17-23(22)19-15-21-31(27-10-4,28-11-5)29-12-6/h13,16H,7-12,14-15,17-21H2,1-6H3
InChIKeyNPBLWDQAGQTJOK-UHFFFAOYSA-N
MW474.79 g/mol
LogP5.90
Rot. Bonds20

About triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane

triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane (PubChem CID 54123067) has the molecular formula C23H46O6Si2 and a molecular weight of 474.79 g/mol. Its IUPAC name is triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane
PubChem CID54123067
Molecular FormulaC23H46O6Si2
Molecular Weight474.79 g/mol
Exact Mass474.28
IUPAC Nametriethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane
SMILESCCO[Si](CCCC1=C(CCC[Si](OCC)(OCC)OCC)CC=C1)(OCC)OCC
InChIInChI=1S/C23H46O6Si2/c1-7-24-30(25-8-2,26-9-3)20-14-18-22-16-13-17-23(22)19-15-21-31(27-10-4,28-11-5)29-12-6/h13,16H,7-12,14-15,17-21H2,1-6H3
InChIKeyNPBLWDQAGQTJOK-UHFFFAOYSA-N
XLogP5.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.79
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane (CID 54123067) is triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane is CCO[Si](CCCC1=C(CCC[Si](OCC)(OCC)OCC)CC=C1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane?
The InChIKey is NPBLWDQAGQTJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O6Si2/c1-7-24-30(25-8-2,26-9-3)20-14-18-22-16-13-17-23(22)19-15-21-31(27-10-4,28-11-5)29-12-6/h13,16H,7-12,14-15,17-21H2,1-6H3.
What are the key properties of triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane?
triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane has a molecular weight of 474.79 g/mol, XLogP of 5.90, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-(3-triethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane is sourced from PubChem (CID 54123067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).