cyclohexa-1,3-dien-1-yl(phenyl)silane

C12H14Si — CID 154538324

IUPACcyclohexa-1,3-dien-1-yl(phenyl)silane
SMILESC1=CCCC([SiH2]c2ccccc2)=C1
InChIInChI=1S/C12H14Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10,13H2
InChIKeyGKUZJLRPVFEBBW-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.71
Rot. Bonds2

About cyclohexa-1,3-dien-1-yl(phenyl)silane

cyclohexa-1,3-dien-1-yl(phenyl)silane (PubChem CID 154538324) has the molecular formula C12H14Si and a molecular weight of 186.33 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl(phenyl)silane.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl(phenyl)silane
PubChem CID154538324
Molecular FormulaC12H14Si
Molecular Weight186.33 g/mol
Exact Mass186.09
IUPAC Namecyclohexa-1,3-dien-1-yl(phenyl)silane
SMILESC1=CCCC([SiH2]c2ccccc2)=C1
InChIInChI=1S/C12H14Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10,13H2
InChIKeyGKUZJLRPVFEBBW-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.71
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 cyclohexa-1,3-dien-1-yl(phenyl)silane?
The IUPAC name of cyclohexa-1,3-dien-1-yl(phenyl)silane (CID 154538324) is cyclohexa-1,3-dien-1-yl(phenyl)silane.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl(phenyl)silane?
The canonical SMILES for cyclohexa-1,3-dien-1-yl(phenyl)silane is C1=CCCC([SiH2]c2ccccc2)=C1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl(phenyl)silane?
The InChIKey is GKUZJLRPVFEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10,13H2.
What are the key properties of cyclohexa-1,3-dien-1-yl(phenyl)silane?
cyclohexa-1,3-dien-1-yl(phenyl)silane has a molecular weight of 186.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl(phenyl)silane is sourced from PubChem (CID 154538324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).