cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane

C20H28Si — CID 174668559

IUPACcyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane
SMILESCC1=CC([Si](C)(c2ccccc2)C2CCCCC2)C(C)=C1
InChIInChI=1S/C20H28Si/c1-16-14-17(2)20(15-16)21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4,6-7,10-11,14-15,19-20H,5,8-9,12-13H2,1-3H3
InChIKeyGKXNMAFOPJJTAQ-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.58
Rot. Bonds3

About cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane

cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane (PubChem CID 174668559) has the molecular formula C20H28Si and a molecular weight of 296.53 g/mol. Its IUPAC name is cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane.

Molecular Properties

Compound Namecyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane
PubChem CID174668559
Molecular FormulaC20H28Si
Molecular Weight296.53 g/mol
Exact Mass296.20
IUPAC Namecyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane
SMILESCC1=CC([Si](C)(c2ccccc2)C2CCCCC2)C(C)=C1
InChIInChI=1S/C20H28Si/c1-16-14-17(2)20(15-16)21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4,6-7,10-11,14-15,19-20H,5,8-9,12-13H2,1-3H3
InChIKeyGKXNMAFOPJJTAQ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.58
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

cyclohexyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 174657129
cyclopentyl-dimethyl-phenylsilane
CID 59962320
cyclopentyl-methyl-diphenylsilane
CID 123376620
cyclohexyl-iodo-diphenylsilane
CID 71429337
cyclohexyl-dimethoxy-phenylsilane
CID 54389963
cyclohexyl-[dimethyl(2-trimethylsilylethyl)silyl]-methyl-phenylsilane
CID 22950743
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
bis(bis[dicyclohexyl(phenyl)silyl]azanide);zirconium(4+);dichloride
CID 159721733
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane
CID 15358388
dimethyl-(3-methylcyclohex-2-en-1-yl)-phenylsilane
CID 10421400
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699516

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane?
The IUPAC name of cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane (CID 174668559) is cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane.
What is the SMILES notation for cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane?
The canonical SMILES for cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane is CC1=CC([Si](C)(c2ccccc2)C2CCCCC2)C(C)=C1.
What is the InChIKey of cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane?
The InChIKey is GKXNMAFOPJJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Si/c1-16-14-17(2)20(15-16)21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4,6-7,10-11,14-15,19-20H,5,8-9,12-13H2,1-3H3.
What are the key properties of cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane?
cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane is sourced from PubChem (CID 174668559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).