3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane

C14H26O3Si — CID 19428923

IUPAC3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane
SMILESCCO[Si](CCCC1=CC=CC1)(OCC)OCC
InChIInChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)13-9-12-14-10-7-8-11-14/h7-8,10H,4-6,9,11-13H2,1-3H3
InChIKeyWUYAQAOOPVBDFK-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.70
Rot. Bonds10

About 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane

3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane (PubChem CID 19428923) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane
PubChem CID19428923
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane
SMILESCCO[Si](CCCC1=CC=CC1)(OCC)OCC
InChIInChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)13-9-12-14-10-7-8-11-14/h7-8,10H,4-6,9,11-13H2,1-3H3
InChIKeyWUYAQAOOPVBDFK-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane (CID 19428923) is 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane is CCO[Si](CCCC1=CC=CC1)(OCC)OCC.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane?
The InChIKey is WUYAQAOOPVBDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)13-9-12-14-10-7-8-11-14/h7-8,10H,4-6,9,11-13H2,1-3H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane?
3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane has a molecular weight of 270.44 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane is sourced from PubChem (CID 19428923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).