chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane

C9H19BCl2Si — CID 5364767

IUPACchloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane
SMILESCCB(Cl)/C(CC)=C(/C)[Si](C)(C)Cl
InChIInChI=1S/C9H19BCl2Si/c1-6-9(10(11)7-2)8(3)13(4,5)12/h6-7H2,1-5H3/b9-8-
InChIKeyGMXSGJRCAMAPAM-HJWRWDBZSA-N
MW237.05 g/mol
LogP4.49
Rot. Bonds4

About chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane

chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane (PubChem CID 5364767) has the molecular formula C9H19BCl2Si and a molecular weight of 237.05 g/mol. Its IUPAC name is chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane
PubChem CID5364767
Molecular FormulaC9H19BCl2Si
Molecular Weight237.05 g/mol
Exact Mass236.07
IUPAC Namechloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane
SMILESCCB(Cl)/C(CC)=C(/C)[Si](C)(C)Cl
InChIInChI=1S/C9H19BCl2Si/c1-6-9(10(11)7-2)8(3)13(4,5)12/h6-7H2,1-5H3/b9-8-
InChIKeyGMXSGJRCAMAPAM-HJWRWDBZSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 54.49
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'}

Analyze chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane?
The IUPAC name of chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane (CID 5364767) is chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane.
What is the SMILES notation for chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane?
The canonical SMILES for chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane is CCB(Cl)/C(CC)=C(/C)[Si](C)(C)Cl.
What is the InChIKey of chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane?
The InChIKey is GMXSGJRCAMAPAM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19BCl2Si/c1-6-9(10(11)7-2)8(3)13(4,5)12/h6-7H2,1-5H3/b9-8-.
What are the key properties of chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane?
chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane has a molecular weight of 237.05 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-3-[chloro(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane is sourced from PubChem (CID 5364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).