chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane

C18H25ClSi — CID 146727598

IUPACchloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane
SMILESC[Si](C)(Cl)C1C=C(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C18H25ClSi/c1-20(2,19)18-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyRGUFCIBDFBLJLU-UHFFFAOYSA-N
MW304.94 g/mol
LogP6.12
Rot. Bonds3

About chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane

chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane (PubChem CID 146727598) has the molecular formula C18H25ClSi and a molecular weight of 304.94 g/mol. Its IUPAC name is chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane
PubChem CID146727598
Molecular FormulaC18H25ClSi
Molecular Weight304.94 g/mol
Exact Mass304.14
IUPAC Namechloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane
SMILESC[Si](C)(Cl)C1C=C(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C18H25ClSi/c1-20(2,19)18-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyRGUFCIBDFBLJLU-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.94
LogP ≤ 56.12
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 chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane (CID 146727598) is chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane is C[Si](C)(Cl)C1C=C(CC2CCCCC2)c2ccccc21.
What is the InChIKey of chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane?
The InChIKey is RGUFCIBDFBLJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClSi/c1-20(2,19)18-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane?
chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane has a molecular weight of 304.94 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 146727598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).