[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane

C22H28Si — CID 139263743

IUPAC[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane
SMILESCC1(C)C/C(=C\c2ccccc2)C([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C22H28Si/c1-22(2)16-19(15-18-11-7-5-8-12-18)21(17-22)23(3,4)20-13-9-6-10-14-20/h5-15,21H,16-17H2,1-4H3/b19-15+
InChIKeyPOCYEQXJBQVCEC-XDJHFCHBSA-N
MW320.55 g/mol
LogP5.88
Rot. Bonds3

About [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane

[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane (PubChem CID 139263743) has the molecular formula C22H28Si and a molecular weight of 320.55 g/mol. Its IUPAC name is [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane
PubChem CID139263743
Molecular FormulaC22H28Si
Molecular Weight320.55 g/mol
Exact Mass320.20
IUPAC Name[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane
SMILESCC1(C)C/C(=C\c2ccccc2)C([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C22H28Si/c1-22(2)16-19(15-18-11-7-5-8-12-18)21(17-22)23(3,4)20-13-9-6-10-14-20/h5-15,21H,16-17H2,1-4H3/b19-15+
InChIKeyPOCYEQXJBQVCEC-XDJHFCHBSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.88
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

cyclopentyl-dimethyl-phenylsilane
CID 59962320
(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
CID 102403651
dimethyl-phenyl-[(2S,3R)-2,5,5-trimethyloxolan-3-yl]silane
CID 10857837
dimethyl-phenyl-[(2R,3S)-2,5,5-trimethyloxolan-3-yl]silane
CID 101071423
3-benzylidene-4-methyloxolane
CID 11725420
[(2E)-2-benzylidene-4,4-dimethylcyclohexyl] N-phenylcarbamate
CID 10359964
(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
CID 10242437
(3E)-3-benzylidene-1,4,4-trimethylbicyclo[3.2.0]heptan-2-one
CID 90473499
4-benzylidene-3-methylpiperidine
CID 66897320
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
7,7-dimethyl-2-(2-phenylethenyl)-6,8-dihydro-5H-quinolin-5-ol
CID 174523969
diethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 134941037

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane?
The IUPAC name of [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane (CID 139263743) is [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane?
The canonical SMILES for [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane is CC1(C)C/C(=C\c2ccccc2)C([Si](C)(C)c2ccccc2)C1.
What is the InChIKey of [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane?
The InChIKey is POCYEQXJBQVCEC-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H28Si/c1-22(2)16-19(15-18-11-7-5-8-12-18)21(17-22)23(3,4)20-13-9-6-10-14-20/h5-15,21H,16-17H2,1-4H3/b19-15+.
What are the key properties of [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane?
[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane has a molecular weight of 320.55 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane is sourced from PubChem (CID 139263743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).