di(cyclopenta-1,3-dien-1-yl)-diphenylsilane

C22H20Si — CID 18430524

IUPACdi(cyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESC1=CCC([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C22H20Si/c1-3-11-19(12-4-1)23(21-15-7-8-16-21,22-17-9-10-18-22)20-13-5-2-6-14-20/h1-15,17H,16,18H2
InChIKeyJPCSKKRHYPADFX-UHFFFAOYSA-N
MW312.49 g/mol
LogP4.10
Rot. Bonds4

About di(cyclopenta-1,3-dien-1-yl)-diphenylsilane

di(cyclopenta-1,3-dien-1-yl)-diphenylsilane (PubChem CID 18430524) has the molecular formula C22H20Si and a molecular weight of 312.49 g/mol. Its IUPAC name is di(cyclopenta-1,3-dien-1-yl)-diphenylsilane.

Molecular Properties

Compound Namedi(cyclopenta-1,3-dien-1-yl)-diphenylsilane
PubChem CID18430524
Molecular FormulaC22H20Si
Molecular Weight312.49 g/mol
Exact Mass312.13
IUPAC Namedi(cyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESC1=CCC([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C22H20Si/c1-3-11-19(12-4-1)23(21-15-7-8-16-21,22-17-9-10-18-22)20-13-5-2-6-14-20/h1-15,17H,16,18H2
InChIKeyJPCSKKRHYPADFX-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 di(cyclopenta-1,3-dien-1-yl)-diphenylsilane?
The IUPAC name of di(cyclopenta-1,3-dien-1-yl)-diphenylsilane (CID 18430524) is di(cyclopenta-1,3-dien-1-yl)-diphenylsilane.
What is the SMILES notation for di(cyclopenta-1,3-dien-1-yl)-diphenylsilane?
The canonical SMILES for di(cyclopenta-1,3-dien-1-yl)-diphenylsilane is C1=CCC([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of di(cyclopenta-1,3-dien-1-yl)-diphenylsilane?
The InChIKey is JPCSKKRHYPADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Si/c1-3-11-19(12-4-1)23(21-15-7-8-16-21,22-17-9-10-18-22)20-13-5-2-6-14-20/h1-15,17H,16,18H2.
What are the key properties of di(cyclopenta-1,3-dien-1-yl)-diphenylsilane?
di(cyclopenta-1,3-dien-1-yl)-diphenylsilane has a molecular weight of 312.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-1,3-dien-1-yl)-diphenylsilane is sourced from PubChem (CID 18430524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).