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

C8H11Cl3Si — CID 19700255

IUPACtrichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane
SMILESCCC(C1=CC=CC1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H11Cl3Si/c1-2-8(12(9,10)11)7-5-3-4-6-7/h3-5,8H,2,6H2,1H3
InChIKeyISBQOTFMYIDVHW-UHFFFAOYSA-N
MW241.62 g/mol
LogP4.31
Rot. Bonds3

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

trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane (PubChem CID 19700255) has the molecular formula C8H11Cl3Si and a molecular weight of 241.62 g/mol. Its IUPAC name is trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane.

Molecular Properties

Compound Nametrichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane
PubChem CID19700255
Molecular FormulaC8H11Cl3Si
Molecular Weight241.62 g/mol
Exact Mass239.97
IUPAC Nametrichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane
SMILESCCC(C1=CC=CC1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H11Cl3Si/c1-2-8(12(9,10)11)7-5-3-4-6-7/h3-5,8H,2,6H2,1H3
InChIKeyISBQOTFMYIDVHW-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane?
The IUPAC name of trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane (CID 19700255) is trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane.
What is the SMILES notation for trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane?
The canonical SMILES for trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane is CCC(C1=CC=CC1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane?
The InChIKey is ISBQOTFMYIDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl3Si/c1-2-8(12(9,10)11)7-5-3-4-6-7/h3-5,8H,2,6H2,1H3.
What are the key properties of trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane?
trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane has a molecular weight of 241.62 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(1-cyclopenta-1,3-dien-1-ylpropyl)silane is sourced from PubChem (CID 19700255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).