cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane

C20H20Si — CID 144923038

IUPACcyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
SMILESC[Si](C1=CC=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20Si/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h2,4-17H,3H2,1H3
InChIKeyNFHZIYYGGRIWIV-UHFFFAOYSA-N
MW288.47 g/mol
LogP3.86
Rot. Bonds3

About cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane

cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane (PubChem CID 144923038) has the molecular formula C20H20Si and a molecular weight of 288.47 g/mol. Its IUPAC name is cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane.

Molecular Properties

Compound Namecyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
PubChem CID144923038
Molecular FormulaC20H20Si
Molecular Weight288.47 g/mol
Exact Mass288.13
IUPAC Namecyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
SMILESC[Si](C1=CC=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20Si/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h2,4-17H,3H2,1H3
InChIKeyNFHZIYYGGRIWIV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
3-(1-phenylethyl)cyclohepta-1,3,5-triene
CID 123815989
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
cyclohepta-1,3,6-trien-1-yl-dimethyl-phenylazanium
CID 90938590
3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
CID 134407070
di(cyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 18430524
cyclopenta-1,3-diene;dimethyl-(4-phenylphenyl)-trimethylsilyloxysilane
CID 6431655
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
N-cyclohepta-1,3,6-trien-1-yl-N-phenylhydroxylamine
CID 142912112
chloro-(chloro-methyl-phenylsilyl)oxy-methyl-phenylsilane
CID 101051464
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
cyclopenta-1,4-dien-1-yl-(cyclopenta-1,4-dien-1-ylmethyl)-diphenylsilane
CID 87448716

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane?
The IUPAC name of cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane (CID 144923038) is cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane.
What is the SMILES notation for cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane?
The canonical SMILES for cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane is C[Si](C1=CC=CCC=C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane?
The InChIKey is NFHZIYYGGRIWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Si/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h2,4-17H,3H2,1H3.
What are the key properties of cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane?
cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane has a molecular weight of 288.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane is sourced from PubChem (CID 144923038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).