chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C13H21ClSi — CID 71367979

IUPACchloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)(Cl)C1C=CC(C2CCCCC2)=C1
InChIInChI=1S/C13H21ClSi/c1-15(2,14)13-9-8-12(10-13)11-6-4-3-5-7-11/h8-11,13H,3-7H2,1-2H3
InChIKeyHMSOIMZDUARLAL-UHFFFAOYSA-N
MW240.85 g/mol
LogP4.88
Rot. Bonds2

About chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane

chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 71367979) has the molecular formula C13H21ClSi and a molecular weight of 240.85 g/mol. Its IUPAC name is chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID71367979
Molecular FormulaC13H21ClSi
Molecular Weight240.85 g/mol
Exact Mass240.11
IUPAC Namechloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)(Cl)C1C=CC(C2CCCCC2)=C1
InChIInChI=1S/C13H21ClSi/c1-15(2,14)13-9-8-12(10-13)11-6-4-3-5-7-11/h8-11,13H,3-7H2,1-2H3
InChIKeyHMSOIMZDUARLAL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.85
LogP ≤ 54.88
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-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 71367979) is chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane is C[Si](C)(Cl)C1C=CC(C2CCCCC2)=C1.
What is the InChIKey of chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is HMSOIMZDUARLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClSi/c1-15(2,14)13-9-8-12(10-13)11-6-4-3-5-7-11/h8-11,13H,3-7H2,1-2H3.
What are the key properties of chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 240.85 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-cyclohexylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 71367979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).