dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane

C12H12Cl2Si — CID 90322017

IUPACdichloro-cyclohexa-1,3-dien-1-yl-phenylsilane
SMILESCl[Si](Cl)(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C12H12Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-5,7-9H,6,10H2
InChIKeyKRJKGPQWEGEGRR-UHFFFAOYSA-N
MW255.22 g/mol
LogP3.63
Rot. Bonds2

About dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane

dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane (PubChem CID 90322017) has the molecular formula C12H12Cl2Si and a molecular weight of 255.22 g/mol. Its IUPAC name is dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane.

Molecular Properties

Compound Namedichloro-cyclohexa-1,3-dien-1-yl-phenylsilane
PubChem CID90322017
Molecular FormulaC12H12Cl2Si
Molecular Weight255.22 g/mol
Exact Mass254.01
IUPAC Namedichloro-cyclohexa-1,3-dien-1-yl-phenylsilane
SMILESCl[Si](Cl)(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C12H12Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-5,7-9H,6,10H2
InChIKeyKRJKGPQWEGEGRR-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 53.63
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 dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane?
The IUPAC name of dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane (CID 90322017) is dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane.
What is the SMILES notation for dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane?
The canonical SMILES for dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane is Cl[Si](Cl)(C1=CC=CCC1)c1ccccc1.
What is the InChIKey of dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane?
The InChIKey is KRJKGPQWEGEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-5,7-9H,6,10H2.
What are the key properties of dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane?
dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane has a molecular weight of 255.22 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-cyclohexa-1,3-dien-1-yl-phenylsilane is sourced from PubChem (CID 90322017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).